Cas no 110763-18-3 (1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl-)

Technical Introduction: 1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl-, is a heterocyclic compound featuring a pyrazole core substituted with a carboxamide group at the 4-position, a chlorine atom at the 5-position, and a methyl group at the 1-position. This structure imparts unique reactivity and functional versatility, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The chloro and methyl substituents enhance its stability and selectivity in coupling reactions, while the carboxamide group offers opportunities for further derivatization. Its well-defined molecular framework ensures consistent performance in applications requiring precise structural modifications. The compound is typically characterized by high purity and compatibility with standard synthetic protocols, facilitating its use in research and industrial processes.
1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl- structure
110763-18-3 structure
Product Name:1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl-
CAS No:110763-18-3
MF:C5H6ClN3O
MW:159.573639392853
CID:1194966
PubChem ID:14051860
Update Time:2025-05-26

1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl- Chemical and Physical Properties

Names and Identifiers

    • 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 >>

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Chemenu
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110763-18-3 97%
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1H-Pyrazole-4-carboxamide, 5-chloro-1-methyl- Related Literature

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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