Cas no 957487-29-5 (2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid)

2-[3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid is a fluorinated pyrazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure incorporates a difluoromethyl group, which can enhance metabolic stability and bioavailability, making it valuable for drug discovery. The acetic acid moiety provides a functional handle for further derivatization, enabling the synthesis of esters, amides, or other conjugates. This compound may serve as a key intermediate in the development of bioactive molecules, particularly those targeting enzyme inhibition or receptor modulation. Its well-defined chemical properties and synthetic versatility make it suitable for exploratory studies in medicinal chemistry and crop protection.
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid structure
957487-29-5 structure
Product Name:2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid
CAS No:957487-29-5
MF:C7H8F2N2O2
MW:190.147428512573
MDL:MFCD03419677
CID:1077333
PubChem ID:6485412
Update Time:2025-05-27

2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetic acid
    • [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid
    • [3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-acetic acid
    • [3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid(SALTDATA: FREE)
    • 2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid
    • MDL: MFCD03419677
    • Inchi: 1S/C7H8F2N2O2/c1-4-2-5(7(8)9)10-11(4)3-6(12)13/h2,7H,3H2,1H3,(H,12,13)
    • InChI Key: ZHCDOVBRCTYUSV-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C)N(CC(=O)O)N=1)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3

2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid Pricemore >>

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