CAS 128694-72-4

1-(1-Methylethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

Description:

1-(1-Methylethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid, with the CAS number 128694-72-4, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic ring containing two nitrogen atoms. This compound features a trifluoromethyl group, which significantly enhances its lipophilicity and biological activity, making it of interest in various fields, including agrochemicals and pharmaceuticals. The presence of the carboxylic acid functional group contributes to its acidity and potential reactivity, allowing for various chemical transformations. Additionally, the isopropyl group (1-methylethyl) attached to the pyrazole ring can influence the compound's steric properties and solubility. Overall, this compound's unique structural features may confer specific biological activities, making it a subject of research in medicinal chemistry and related disciplines. Its stability, solubility, and reactivity can vary based on environmental conditions and the presence of other functional groups in a given formulation.

Formula: C₈H₉F₃N₂O₂

InChI: InChI=1S/C8H9F3N2O2/c1-4(2)13-5(7(14)15)3-6(12-13)8(9,10)11/h3-4H,1-2H3,(H,14,15)

InChI key: InChIKey=VJQYDJQUFOYLDU-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1N(C(C)C)N=C(C(F)(F)F)C1

Synonyms:

• 1H-Pyrazole-5-carboxylic acid, 1-(1-methylethyl)-3-(trifluoromethyl)-
• 1-(1-Methylethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
• 1-(Propan-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
• 1-Isopropyl-3-trifluoromethyl-1H-pyrazole-5-carboxylic acid