Cas no 1015845-93-8 (1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine)
1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine Chemical and Physical Properties
Names and Identifiers
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- 1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine
- 2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-amine
- AG-D-08681
- Ambcb4014316
- CTK3J9949
- MolPort-004-961-643
- CHEMBRDG-BB 4014316
- 2-CYCLOHEX-3-ENYLMETHYL-2H-PYRAZOL-3-YLAMINE
- 1H-Pyrazol-5-amine, 1-(3-cyclohexen-1-ylmethyl)-
- 1-(cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine(SALTDATA: FREE)
- BS-35552
- 1-[(Cyclohex-3-en-1-yl)methyl]-1H-pyrazol-5-amine
- 1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine, AldrichCPR
- 1H-Pyrazol-5-amine,1-(3-cyclohexen-1-ylmethyl)-
- DTXSID80669518
- 1-(3-Cyclohexen-1-ylmethyl)-1H-pyrazol-5-amine
- MFCD08457377
- AKOS002659441
- AKOS022183839
- CS-0439779
- 1015845-93-8
-
- MDL: MFCD08457377
- Inchi: 1S/C10H15N3/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h1-2,6-7,9H,3-5,8,11H2
- InChI Key: LADCMDDDHRHNGR-UHFFFAOYSA-N
- SMILES: N1(C(=CC=N1)N)CC1CC=CCC1
Computed Properties
- Exact Mass: 177.12700
- Monoisotopic Mass: 177.126597491g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 191
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 43.8?2
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Boiling Point: 335.7±15.0 °C at 760 mmHg
- Flash Point: 156.8±20.4 °C
- PSA: 43.84000
- LogP: 2.40280
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-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
- Hazard Category Code: 25
- Safety Instruction: 45
-
Hazardous Material Identification:
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-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-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C988308-50mg |
1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine |
1015845-93-8 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C988308-100mg |
1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine |
1015845-93-8 | 100mg |
$ 65.00 | 2022-06-06 | ||
| TRC | C988308-500mg |
1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine |
1015845-93-8 | 500mg |
$ 115.00 | 2022-06-06 | ||
| abcr | AB216024-1 g |
1-(3-Cyclohexen-1-ylmethyl)-1H-pyrazol-5-amine; 95% |
1015845-93-8 | 1g |
€128.10 | 2023-02-05 | ||
| abcr | AB216024-5 g |
1-(3-Cyclohexen-1-ylmethyl)-1H-pyrazol-5-amine; 95% |
1015845-93-8 | 5g |
€365.50 | 2023-02-05 | ||
| abcr | AB216024-1g |
1-(3-Cyclohexen-1-ylmethyl)-1H-pyrazol-5-amine, 95%; . |
1015845-93-8 | 95% | 1g |
€137.20 | 2025-02-27 | |
| abcr | AB216024-5g |
1-(3-Cyclohexen-1-ylmethyl)-1H-pyrazol-5-amine, 95%; . |
1015845-93-8 | 95% | 5g |
€381.90 | 2025-02-27 | |
| Chemenu | CM110013-5g |
1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine |
1015845-93-8 | 95% | 5g |
$202 | 2023-03-05 | |
| eNovation Chemicals LLC | Y1240885-5g |
1H-Pyrazol-5-amine, 1-(3-cyclohexen-1-ylmethyl)- |
1015845-93-8 | 95% | 5g |
$315 | 2024-07-28 | |
| Ambeed | A688862-5g |
1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine |
1015845-93-8 | 95+% | 5g |
$182.0 | 2024-04-26 |
1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine Related Literature
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
Additional information on 1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine
Introduction to 1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine (CAS No. 1015845-93-8)
1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine, identified by the Chemical Abstracts Service Number (CAS No.) 1015845-93-8, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This heterocyclic amine derivative has garnered attention due to its unique structural features and potential biological activities, making it a subject of extensive interest in drug discovery and development.
The molecular structure of 1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine consists of a pyrazole core substituted with a cyclohexenylmethyl group at the 1-position and an amine group at the 5-position. This configuration imparts distinct electronic and steric properties, which are crucial for its interaction with biological targets. The cyclohexene moiety introduces conformational flexibility, while the pyrazole ring provides a scaffold for further functionalization, enabling the design of derivatives with enhanced pharmacological profiles.
In recent years, there has been growing interest in pyrazole derivatives due to their diverse biological activities, including antimicrobial, anti-inflammatory, and anticancer properties. The presence of the cyclohexenylmethyl group in 1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine suggests potential applications in modulating enzyme activity and receptor binding. This compound has been explored in various preclinical studies as a lead candidate for developing novel therapeutic agents.
One of the most compelling aspects of 1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine is its versatility in chemical modification. The pyrazole ring can be further functionalized to introduce additional pharmacophores, enhancing its binding affinity and selectivity towards specific biological targets. For instance, studies have shown that derivatives of this compound exhibit promising activity against certain kinases and proteases, which are key targets in cancer therapy. The cyclohexenylmethyl group also provides a handle for derivatization, allowing chemists to explore different substitution patterns and optimize pharmacokinetic properties.
The synthesis of 1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine involves multi-step organic transformations, including condensation reactions, cyclization, and functional group interconversions. Advanced synthetic methodologies have been employed to improve yield and purity, ensuring that the compound meets the stringent requirements for pharmaceutical applications. Recent advancements in catalytic processes have further streamlined the synthesis, making it more efficient and scalable.
From a computational chemistry perspective, 1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-amine has been subjected to detailed molecular modeling studies to elucidate its binding interactions with biological targets. These studies have provided valuable insights into the compound's mechanism of action and have guided the design of more potent derivatives. The integration of experimental data with computational predictions has been instrumental in optimizing lead compounds for clinical development.
The pharmacological evaluation of 1-(Cyclohex-3-en-1-ylmethyl)-1H-pyrazol-5-am ine has revealed several promising activities. In vitro assays have demonstrated its efficacy against various disease-related pathways, including inflammation and tumor proliferation. Additionally, preclinical studies in animal models have shown that this compound exhibits favorable toxicity profiles and good bioavailability, suggesting its potential as a viable therapeutic option.
The development of 1-(Cyclohex -3-en - 1 - ylmethyl) - 1 H - pyrazol - 5 - am ine as a drug candidate aligns with current trends in medicinal chemistry towards rational drug design and targeted therapy. By leveraging structural biology and high-throughput screening technologies, researchers are identifying novel analogs with improved efficacy and reduced side effects. The unique structural features of this compound make it an attractive scaffold for further optimization.
In conclusion, 1 -( Cyc lohex - 3 - en - 1 - ylm ethyl) - 1 H - py ra zol - 5 - am ine (CAS No. 1015845 -93 -8) represents a significant advancement in pharmaceutical chemistry. Its versatile structure, coupled with promising biological activities, positions it as a valuable candidate for further research and development. As our understanding of disease mechanisms continues to evolve, this compound holds great promise for contributing to next-generation therapeutic strategies.
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