Cas no 55361-49-4 (1-ethylpyrazol-3-amine)
1-ethylpyrazol-3-amine Chemical and Physical Properties
Names and Identifiers
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- 1-Ethyl-1H-pyrazol-3-amine
- 1-Ethyl-1H-pyrazol-3-ylamine
- 1-ethyl-1H-pyrazol-3-amine(SALTDATA: FREE)
- 1-ethylpyrazol-3-amine
- 1-ethyl-3-aminopyrazole
- 3-amino-1-ethyl-1H-pyrazole
- MFCD03422571
- DB-071984
- STK349197
- EN300-126170
- 55361-49-4
- 3-amino-1-ethylpyrazole
- A8017
- J-504589
- 1H-Pyrazol-3-amine, 1-ethyl-
- BBL016220
- CS-0122652
- PZJGLURDALTFPQ-UHFFFAOYSA-N
- 1-ethyl-3-amino-1H-pyrazole
- DTXSID10480056
- P20590
- SCHEMBL173859
- AKOS000305048
- CHEMBL3219112
- InChI=1/C5H9N3/c1-2-8-4-3-5(6)7-8/h3-4H,2H2,1H3,(H2,6,7)
- AM20100358
- SY079654
- PZJGLURDALTFPQ-UHFFFAOYSA-
- TS-01552
- TQP1399
- ALBB-002188
-
- MDL: MFCD03422571
- Inchi: 1S/C5H9N3/c1-2-8-4-3-5(6)7-8/h3-4H,2H2,1H3,(H2,6,7)
- InChI Key: PZJGLURDALTFPQ-UHFFFAOYSA-N
- SMILES: N1(C=CC(N)=N1)CC
Computed Properties
- Exact Mass: 111.08000
- Monoisotopic Mass: 111.079647300 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 74.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 111.15
- XLogP3: 0.2
- Topological Polar Surface Area: 43.8?2
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Melting Point: NA
- Boiling Point: 238.6±13.0 °C at 760 mmHg
- PSA: 43.84000
- LogP: 1.06640
- Vapor Pressure: 0.0±0.5 mmHg at 25°C
1-ethylpyrazol-3-amine Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-ethylpyrazol-3-amine Customs Data
- HS CODE:2933199090
- Customs Data:
China Customs Code:
2933199090Overview:
2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1-ethylpyrazol-3-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E902283-50mg |
1-ethyl-1H-pyrazol-3-amine |
55361-49-4 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E902283-100mg |
1-ethyl-1H-pyrazol-3-amine |
55361-49-4 | 100mg |
$ 70.00 | 2022-06-05 | ||
| TRC | E902283-500mg |
1-ethyl-1H-pyrazol-3-amine |
55361-49-4 | 500mg |
$ 250.00 | 2022-06-05 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 020494-500mg |
1-Ethyl-1H-pyrazol-3-ylamine |
55361-49-4 | 500mg |
2112CNY | 2021-05-07 | ||
| Chemenu | CM113960-250mg |
1-ethyl-1H-pyrazol-3-amine |
55361-49-4 | 95+% | 250mg |
$116 | 2021-08-06 | |
| Chemenu | CM113960-1g |
1-ethyl-1H-pyrazol-3-amine |
55361-49-4 | 95+% | 1g |
$363 | 2021-08-06 | |
| Apollo Scientific | OR111552-1g |
1-Ethyl-1H-pyrazol-3-amine |
55361-49-4 | 1g |
£75.00 | 2025-02-19 | ||
| Apollo Scientific | OR111552-5g |
1-Ethyl-1H-pyrazol-3-amine |
55361-49-4 | 5g |
£235.00 | 2025-02-19 | ||
| Apollo Scientific | OR111552-10g |
1-Ethyl-1H-pyrazol-3-amine |
55361-49-4 | 10g |
£395.00 | 2025-02-19 | ||
| eNovation Chemicals LLC | D658668-1G |
1-ethylpyrazol-3-amine |
55361-49-4 | 97% | 1g |
$100 | 2024-07-21 |
1-ethylpyrazol-3-amine Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
Additional information on 1-ethylpyrazol-3-amine
Professional Introduction to Compound with CAS No. 55361-49-4 and Product Name: 1-ethylpyrazol-3-amine
1-ethylpyrazol-3-amine, identified by the Chemical Abstracts Service Number (CAS No.) 55361-49-4, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the pyrazole class, a versatile scaffold widely recognized for its broad spectrum of biological activities. Pyrazole derivatives are particularly noteworthy due to their structural flexibility, which allows for the development of molecules with diverse pharmacological properties. The introduction of an ethyl group at the 1-position and an amine substituent at the 3-position of the pyrazole ring enhances its potential as a pharmacophore, making it a valuable candidate for further chemical modification and biological evaluation.
The 1-ethylpyrazol-3-amine structure exhibits unique electronic and steric properties that contribute to its reactivity and interaction with biological targets. The pyrazole core is known to be a privileged scaffold in drug discovery, often incorporated into molecules targeting enzymes, receptors, and other proteins involved in various disease pathways. The amine functionality at the 3-position provides a site for further derivatization, enabling the synthesis of more complex analogs with tailored biological activities. This compound has been explored in several preclinical studies as a potential lead for therapeutic intervention in inflammatory diseases, cancer, and infectious disorders.
Recent advancements in computational chemistry and molecular modeling have facilitated a deeper understanding of the interactions between 1-ethylpyrazol-3-amine and its biological targets. These studies have highlighted the compound's ability to modulate key signaling pathways by binding to specific enzymes and receptors. For instance, research indicates that derivatives of this scaffold may inhibit Janus kinases (JAKs), which are implicated in autoimmune diseases and cancer. The ethyl group at the 1-position appears to enhance binding affinity by optimizing van der Waals interactions with the target protein, while the amine moiety allows for hydrogen bonding, further stabilizing the complex.
In addition to its potential as an anti-inflammatory agent, 1-ethylpyrazol-3-amine has shown promise in antitumor research. Preclinical studies have demonstrated that certain pyrazole derivatives can induce apoptosis in cancer cells by disrupting critical cellular processes such as DNA replication and cell cycle progression. The structural features of this compound facilitate its ability to interfere with these pathways, making it a promising candidate for further development into novel anticancer therapies. Researchers are particularly interested in exploring its efficacy in combination therapies, where it may synergize with existing treatments to enhance therapeutic outcomes.
The synthesis of 1-ethylpyrazol-3-amine involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Common synthetic routes include condensation reactions between hydrazine derivatives and ethyl acetoacetate, followed by functional group transformations such as reduction and amination. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making it feasible to conduct extensive biological evaluations. The availability of high-quality starting materials and well-established synthetic protocols has accelerated the exploration of this compound's pharmacological potential.
From a medicinal chemistry perspective, 1-ethylpyrazol-3-amine serves as a valuable building block for generating novel drug candidates. Its structural framework allows for modifications at multiple positions, enabling chemists to fine-tune properties such as solubility, metabolic stability, and target specificity. By employing structure-based drug design principles, researchers can optimize analogs of this compound to improve their pharmacokinetic profiles while maintaining or enhancing biological activity. This approach has been instrumental in developing next-generation therapeutics with improved efficacy and reduced side effects.
The growing interest in 1-ethylpyrazol-3-amine is also driven by its potential applications in drug repurposing initiatives. Many approved drugs have shown activity against unexpected targets due to their structural similarities with known pharmacophores. By leveraging computational screening tools, researchers can identify existing compounds that share structural features with 1-ethylpyrazol-3-amine, potentially uncovering new therapeutic uses for these molecules. This strategy not only accelerates drug development but also maximizes the utility of existing chemical libraries.
In conclusion,1-ethylpyrazol-3-amines (CAS No.: 55361–49–4) represents a significant area of interest in pharmaceutical research due to its versatile structure and broad range of potential applications. Its role as a pharmacophore in developing treatments for inflammatory diseases, cancer, and other disorders underscores its importance in medicinal chemistry. As research continues to uncover new biological activities and synthetic strategies for this compound,1–ethylpyrazol–3–amines will likely remain at forefrontof drug discovery efforts aimed at addressing unmet medical needs.
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