Cas no 1006319-91-0 (1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid)

1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid structure
1006319-91-0 structure
Product Name:1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CAS No:1006319-91-0
MF:C6H6F2N2O2
MW:176.120848178864
MDL:MFCD04970129
CID:2951323
PubChem ID:19616497
Update Time:2025-07-19

1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • AKOS B021063
    • ART-CHEM-BB B021063
    • 2-(difluoromethyl)-5-methyl-3-pyrazolecarboxylic acid
    • 2-(difluoromethyl)-5-methylpyrazole-3-carboxylic acid
    • 2-(difluoromethyl)-5-methyl-pyrazole-3-carboxylic acid
    • 1-(Difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid
    • 1-(difluoromethyl)-3-methylpyrazole-5-carboxylic acid
    • STK347011
    • W18899
    • A910839
    • Z1768160541
    • 1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylicacid
    • 1H-pyrazole-5-carboxylic acid, 1-(difluoromethyl)-3-methyl-
    • RJMWVXOLEQPRON-UHFFFAOYSA-N
    • ALBB-021521
    • AS-56415
    • CS-0439683
    • 1006319-91-0
    • AKOS000310604
    • EN300-92868
    • SCHEMBL22437129
    • DS-020533
    • Z1198164966
    • SB85845
    • 886-872-0
    • 1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid
    • MDL: MFCD04970129
    • Inchi: 1S/C6H6F2N2O2/c1-3-2-4(5(11)12)10(9-3)6(7)8/h2,6H,1H3,(H,11,12)
    • InChI Key: RJMWVXOLEQPRON-UHFFFAOYSA-N
    • SMILES: FC(N1C(C(=O)O)=CC(C)=N1)F

Computed Properties

  • Exact Mass: 176.03973376g/mol
  • 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
  • XLogP3: 1.3
  • Topological Polar Surface Area: 55.1

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Additional information on 1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid

Comprehensive Analysis of 1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid (CAS No. 1006319-91-0)

The compound 1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid (CAS No. 1006319-91-0) is a highly specialized organic molecule that has garnered significant attention in the fields of medicinal chemistry and agrochemical research. Its unique structural features, including the difluoromethyl group and the pyrazole core, make it a valuable intermediate for the synthesis of bioactive compounds. Researchers are particularly interested in its potential applications in drug discovery and crop protection, aligning with current trends in sustainable agriculture and precision medicine.

One of the key reasons for the growing interest in 1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid is its role in the development of novel heterocyclic compounds. Heterocycles are a cornerstone of modern pharmaceuticals, and the pyrazole ring system is known for its versatility in drug design. The presence of the difluoromethyl group enhances the molecule's metabolic stability and bioavailability, which are critical factors in the development of effective therapeutics. This aligns with the increasing demand for small molecule drugs that target specific pathways with minimal side effects.

In the agrochemical sector, 1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid is being explored as a building block for crop protection agents. With the global push toward sustainable farming practices, there is a heightened focus on developing environmentally friendly pesticides and herbicides. The difluoromethyl moiety is particularly attractive because it can improve the efficacy and selectivity of these agents, reducing the environmental footprint of agricultural chemicals. This resonates with current discussions around green chemistry and the need for safer alternatives to traditional agrochemicals.

From a synthetic chemistry perspective, the preparation of 1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid involves innovative methodologies that highlight the advancements in fluorine chemistry. Fluorinated compounds are increasingly important in both pharmaceuticals and agrochemicals due to their unique physicochemical properties. The incorporation of fluorine atoms, as seen in the difluoromethyl group, can significantly alter a molecule's reactivity, lipophilicity, and binding affinity. This has led to a surge in research publications and patents related to fluorinated pyrazoles, further underscoring the relevance of this compound.

The commercial availability of 1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid (CAS No. 1006319-91-0) has also sparked interest among manufacturers and suppliers in the fine chemicals industry. As a high-value intermediate, it is often sought after by companies specializing in custom synthesis and contract research. The compound's potential applications in drug discovery pipelines and agrochemical formulations make it a strategic asset for businesses aiming to capitalize on emerging trends in these sectors.

In conclusion, 1-(difluoromethyl)-3-methyl-1H-pyrazole-5-carboxylic acid represents a fascinating example of how structural innovation can drive progress in multiple scientific disciplines. Its relevance to medicinal chemistry, agrochemical development, and fluorine chemistry positions it as a compound of significant interest for researchers and industry professionals alike. As the demand for more efficient and sustainable chemical solutions grows, this molecule is likely to remain at the forefront of scientific exploration and commercial application.

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