Cas no 1005558-05-3 (1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile)
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile
- 1-ethyl-5-methyl-1H-pyrazole-4-carbonitrile(SALTDATA: FREE)
- 1-ethyl-5-methylpyrazole-4-carbonitrile
- AKOS B019535
- ART-CHEM-BB B019535
- ALBB-030528
- MFCD04050861
- STK305554
- AKOS000309841
- 1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL CYANIDE
- DTXSID60406423
- 1H-Pyrazole-4-carbonitrile, 1-ethyl-5-methyl-
- LS-10903
- 1005558-05-3
- BBL038398
- SCHEMBL19504919
-
- MDL: MFCD04050861
- Inchi: 1S/C7H9N3/c1-3-10-6(2)7(4-8)5-9-10/h5H,3H2,1-2H3
- InChI Key: UUXMDCWZGXWAHL-UHFFFAOYSA-N
- SMILES: N1(CC)C(C)=C(C#N)C=N1
Computed Properties
- Exact Mass: 135.08000
- Monoisotopic Mass: 135.079647300g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 158
- 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
- XLogP3: 0.7
- Topological Polar Surface Area: 41.6?2
Experimental Properties
- PSA: 41.61000
- LogP: 1.08308
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile 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-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B434285-50mg |
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile |
1005558-05-3 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B434285-100mg |
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile |
1005558-05-3 | 100mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B434285-500mg |
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile |
1005558-05-3 | 500mg |
$ 115.00 | 2022-06-07 | ||
| Chemenu | CM483349-5g |
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile |
1005558-05-3 | 95% | 5g |
$136 | 2022-06-14 | |
| abcr | AB267356-1 g |
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile |
1005558-05-3 | 1g |
€122.60 | 2022-06-11 | ||
| abcr | AB267356-5 g |
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile |
1005558-05-3 | 5g |
€261.80 | 2022-06-11 | ||
| abcr | AB267356-10 g |
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile |
1005558-05-3 | 10g |
€407.40 | 2022-06-11 | ||
| abcr | AB267356-25 g |
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile |
1005558-05-3 | 25g |
€761.00 | 2022-06-11 | ||
| eNovation Chemicals LLC | Y1244938-5g |
1H-Pyrazole-4-carbonitrile, 1-ethyl-5-methyl- |
1005558-05-3 | 95% | 5g |
$315 | 2024-07-28 | |
| abcr | AB267356-1g |
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile; . |
1005558-05-3 | 1g |
€137.20 | 2024-04-21 |
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
Additional information on 1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile
1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile (CAS No. 1005558-05-3)
The compound 1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile (CAS No. 1005558-05-3) is a heterocyclic organic compound with significant potential in various chemical and pharmaceutical applications. This compound belongs to the class of pyrazole derivatives, which are widely studied due to their unique electronic properties and structural versatility. The pyrazole ring serves as a foundational structure for numerous bioactive molecules, making this compound a valuable substrate for further functionalization and exploration in drug discovery.
The synthesis of 1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile involves a series of well-established organic reactions, including nucleophilic substitutions, condensations, and oxidations. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly routes to this compound. For instance, the use of transition metal catalysts has significantly improved the yield and purity of the product, aligning with the growing demand for sustainable chemical processes.
In terms of applications, pyrazole derivatives like this compound have shown promise in the development of agrochemicals, where they exhibit potent pesticidal activity against various insect pests and pathogens. Additionally, research has highlighted their potential as building blocks for advanced materials, such as organic semiconductors and light-emitting diodes (LEDs). The cyano group at the 4-position of the pyrazole ring contributes to the compound's electronic properties, making it suitable for applications in optoelectronics.
Recent studies have also explored the biological activity of 1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile, particularly its anti-inflammatory and antioxidant properties. These findings suggest that the compound could be a lead molecule for developing novel therapeutic agents targeting chronic inflammatory diseases and oxidative stress-related conditions. Furthermore, its ability to act as a ligand in metalloenzyme inhibition has opened new avenues in enzyme engineering and catalysis.
The structural flexibility of pyrazole derivatives allows for extensive modification to enhance their bioavailability and efficacy. For example, substituting the ethyl group with other alkyl chains or functional groups can significantly alter the compound's pharmacokinetic properties. Such modifications are currently being investigated in preclinical studies to optimize its therapeutic potential.
In conclusion, 1-Ethyl-5-methyl-1H-pyrazole-4-carbonitrile (CAS No. 1005558-05-3) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure, coupled with recent advancements in synthetic methodologies and biological research, positions it as a key player in future innovations within the fields of chemistry, pharmacology, and materials science.
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