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CAS 925179-02-8

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1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid

Description:
1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic heterocycle containing two nitrogen atoms. The presence of a difluoromethyl group (-CF2H) at the 1-position and a carboxylic acid group (-COOH) at the 3-position contributes to its unique chemical properties. This compound is typically a solid at room temperature and is soluble in polar solvents due to the carboxylic acid functionality. It may exhibit acidic behavior due to the carboxylic acid group, allowing it to participate in various chemical reactions, such as esterification or amidation. The difluoromethyl group can influence the compound's reactivity and stability, making it of interest in medicinal chemistry and agrochemical applications. Additionally, the presence of fluorine atoms often enhances lipophilicity and metabolic stability, which can be advantageous in drug design. Overall, this compound's structural features suggest potential utility in various chemical and pharmaceutical applications.
Formula:C5H4F2N2O2
InChI:InChI=1S/C5H4F2N2O2/c6-5(7)9-2-1-3(8-9)4(10)11/h1-2,5H,(H,10,11)
InChI key:InChIKey=IUAGBSGAPCSVAE-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=NN(C(F)F)C=C1
Synonyms:
  • 1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid
  • 1-Difluoromethyl-1H-pyrazole-3-carboxylic acid
  • 1H-Pyrazole-3-carboxylic acid, 1-(difluoromethyl)-
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