Cas no 1204298-65-6 (5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid)

5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid is a fluorinated pyrazole derivative with significant utility in pharmaceutical and agrochemical research. Its difluoromethyl group enhances metabolic stability and bioavailability, making it a valuable intermediate for drug discovery. The carboxylic acid moiety allows for further functionalization, enabling the synthesis of amides, esters, and other derivatives. This compound exhibits favorable physicochemical properties, including moderate solubility and stability under standard conditions. Its structural features make it particularly useful in the development of bioactive molecules, such as enzyme inhibitors or receptor modulators. The compound is typically handled under controlled conditions due to its reactive functional groups.
5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid structure
1204298-65-6 structure
Product Name:5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CAS No:1204298-65-6
MF:C6H6F2N2O2
MW:176.120848178864
MDL:MFCD12827721
CID:1006763
PubChem ID:50989016
Update Time:2025-10-28

5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
    • 5-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
    • BOC-ASP(OFM)-OH
    • 1H-Pyrazole-4-carboxylic acid, 5-(difluoromethyl)-1-methyl-
    • 1-Methyl-5-(difluoromethyl)-1H-pyrazole-4-carboxylic acid
    • 5-Difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid
    • CTTXMUZEFPPHGD-UHFFFAOYSA-N
    • 3543AA
    • TRA0070880
    • SB21897
    • RP23761
    • AK123281
    • AB0060261
    • ST24044238
    • 5-difluoromethyl-1-methylpyrazole-4-carboxylic acid
    • 5-(difluoromethyl)
    • AC-28859
    • EN300-66591
    • AKOS012187968
    • 1204298-65-6
    • CS-W007116
    • DS-6922
    • STL584006
    • 5-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylicacid
    • J-516337
    • SCHEMBL713246
    • MFCD12827721
    • Z1033285290
    • DB-349657
    • DTXSID60679099
    • DTXCID70629848
    • A11651
    • MDL: MFCD12827721
    • Inchi: 1S/C6H6F2N2O2/c1-10-4(5(7)8)3(2-9-10)6(11)12/h2,5H,1H3,(H,11,12)
    • InChI Key: CTTXMUZEFPPHGD-UHFFFAOYSA-N
    • SMILES: FC(C1=C(C(=O)O)C=NN1C)F

Computed Properties

  • Exact Mass: 176.03978
  • Monoisotopic Mass: 176.03973376g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 188
  • 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
  • Topological Polar Surface Area: 55.1
  • XLogP3: 0.4

Experimental Properties

  • Density: 1.52
  • PSA: 55.12

5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Security Information

5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Pricemore >>

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5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid Related Literature

Additional information on 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Comprehensive Overview of 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS No. 1204298-65-6)

5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS No. 1204298-65-6) is a fluorinated pyrazole derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. The compound features a difluoromethyl group and a carboxylic acid moiety, which contribute to its reactivity and potential applications. Researchers are particularly interested in its role as a building block for synthesizing more complex molecules, especially in the development of novel heterocyclic compounds.

In recent years, the demand for fluorinated pyrazole derivatives has surged, driven by their versatility in drug discovery and crop protection. The difluoromethyl group in 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid enhances its metabolic stability and bioavailability, making it a valuable intermediate in medicinal chemistry. This aligns with the growing trend of incorporating fluorine atoms into bioactive molecules to improve their efficacy and reduce side effects.

The synthesis of 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid typically involves multi-step reactions, including cyclization and fluorination processes. Its CAS No. 1204298-65-6 serves as a unique identifier for researchers and suppliers, ensuring accurate sourcing and regulatory compliance. The compound's purity and stability are critical factors for its successful application, prompting rigorous quality control measures in its production.

One of the most searched questions related to this compound is: "What are the applications of 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid in drug development?" Studies suggest its potential as a precursor for kinase inhibitors and anti-inflammatory agents, reflecting the broader interest in targeted therapies. Additionally, its agrochemical applications, such as in the synthesis of pesticides and herbicides, highlight its cross-industry relevance.

Another trending topic is the environmental impact of fluorinated compounds. While 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid is not classified as hazardous, researchers are exploring greener synthesis methods to minimize waste and energy consumption. This aligns with the global push for sustainable chemistry and the reduction of carbon footprints in industrial processes.

From a commercial perspective, the market for 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid is expanding, with suppliers offering custom synthesis and bulk quantities. Its CAS No. 1204298-65-6 is frequently referenced in procurement databases, underscoring its importance in the chemical supply chain. Analysts predict continued growth, driven by advancements in pharmaceutical research and agrochemical innovation.

In conclusion, 5-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid (CAS No. 1204298-65-6) represents a critical intermediate in modern chemistry, bridging the gap between academic research and industrial applications. Its unique properties and versatility make it a focal point for scientists addressing challenges in drug discovery, crop protection, and sustainable manufacturing. As research progresses, this compound is poised to play an even more significant role in shaping the future of specialty chemicals.

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