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CAS 98534-84-0

:

1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

Description:
1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, identified by CAS number 98534-84-0, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a 4-methylphenyl group enhances its lipophilicity, while the trifluoromethyl group significantly influences its electronic properties, often enhancing biological activity and stability. The compound is typically solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique structure makes it of interest in medicinal chemistry, particularly for developing pharmaceuticals, as the pyrazole moiety is known for various biological activities. Additionally, the trifluoromethyl group can impart desirable pharmacokinetic properties. Safety and handling precautions should be observed, as with many organic compounds, due to potential toxicity or environmental impact.
Formula:C12H9F3N2O2
InChI:InChI=1S/C12H9F3N2O2/c1-7-2-4-8(5-3-7)17-10(12(13,14)15)9(6-16-17)11(18)19/h2-6H,1H3,(H,18,19)
InChI key:InChIKey=QMBUSCJEARRTEH-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1N(N=CC1C(O)=O)C2=CC=C(C)C=C2
Synonyms:
  • 1-(p-Tolyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
  • 1H-Pyrazole-4-carboxylic acid, 1-(4-methylphenyl)-5-(trifluoromethyl)-
  • 1-(4-Methylphenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid
  • 1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
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