Cas no 110763-18-3 (1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl-)
1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl-
- SCHEMBL5204576
- 5-chloro-1-methylpyrazole-4-carboxamide
- 5-chloro-1-methyl-1h-pyrazole-4-carboxamide
- 110763-18-3
-
- Inchi: 1S/C5H6ClN3O/c1-9-4(6)3(2-8-9)5(7)10/h2H,1H3,(H2,7,10)
- InChI Key: CCZSYYBYKAUXNW-UHFFFAOYSA-N
- SMILES: ClC1=C(C(N)=O)C=NN1C
Computed Properties
- Exact Mass: 159.02008
- Monoisotopic Mass: 159.0199395g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 152
- 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: 0.1
- Topological Polar Surface Area: 60.9?2
Experimental Properties
- PSA: 60.91
1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM485880-1g |
5-Chloro-1-methyl-1H-pyrazole-4-carboxamide |
110763-18-3 | 97% | 1g |
$432 | 2022-06-14 |
1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
Additional information on 1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl-
5-Chloro-1-Methyl-1H-Pyrazole-4-Carboxamide (CAS No. 110763-18-3): A Comprehensive Overview
The compound 5-chloro-1-methyl-1H-pyrazole-4-carboxamide (CAS No. 110763-18-3) is an organic chemical entity with significant potential in various fields, including pharmaceuticals, agrochemicals, and materials science. This compound belongs to the class of pyrazole derivatives, which are known for their diverse biological activities and structural versatility. The molecule features a pyrazole ring substituted with a chlorine atom at position 5, a methyl group at position 1, and a carboxamide group at position 4, making it a unique member of the pyrazole family.
Recent advancements in synthetic chemistry have enabled the efficient synthesis of 5-chloro-1-methyl-1H-pyrazole-4-carboxamide through various routes, including microwave-assisted synthesis and catalytic processes. These methods have not only improved the yield but also reduced the environmental footprint of production processes, aligning with the growing demand for sustainable chemical manufacturing.
The structural uniqueness of 5-chloro-1-methyl-1H-pyrazole-4-carboxamide contributes to its intriguing physicochemical properties. The presence of the chlorine atom introduces electron-withdrawing effects, enhancing the compound's stability and reactivity in certain chemical transformations. Meanwhile, the methyl group at position 1 imparts steric effects that can influence the molecule's conformational flexibility and solubility profiles.
One of the most promising applications of 5-chloro-1-methyl-1H-pyrazole-4-carboxamide lies in its potential as a building block for drug discovery. Pyrazole derivatives are well-documented for their roles as kinase inhibitors, anti-inflammatory agents, and antitumor compounds. Recent studies have highlighted its ability to modulate key signaling pathways involved in cancer progression, making it a valuable candidate for further exploration in oncology research.
In addition to its pharmaceutical applications, 5-chloro-1-methyl-1H-pyrazole-4-carboxamide has shown promise in agrochemicals as a potential herbicide or fungicide. Its ability to inhibit specific enzymes involved in plant metabolism or fungal growth underscores its potential utility in crop protection.
From a materials science perspective, the compound's electronic properties make it a candidate for use in organic electronics or as a precursor for advanced materials such as conductive polymers or metal complexes.
Recent research has also focused on understanding the environmental fate and toxicity of 5-chloro-1-methyl-1H-pyrazole-4-carboxamide, ensuring its safe handling and application in industrial settings.
In conclusion, 5-chloro-1-methyl-1H-pyrazole-4-carboxamide (CAS No. 110763) is a multifaceted compound with diverse applications across various industries. Its unique structure and versatile properties continue to attract scientific interest, driving innovative research into its potential uses and optimizations.
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