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CAS 231285-86-2

:

1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(trifluoromethyl)-, ethyl ester

Description:
1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(trifluoromethyl)-, ethyl ester, identified by CAS number 231285-86-2, is a chemical compound characterized by its pyrazole core structure, which features a five-membered ring containing two nitrogen atoms. This compound exhibits a carboxylic acid functional group, which is esterified with an ethyl group, contributing to its solubility and reactivity. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The methyl group at the 1-position of the pyrazole ring can also affect the compound's steric and electronic properties. Typically, such compounds are studied for their potential applications in agrochemicals, pharmaceuticals, or as intermediates in organic synthesis. The specific characteristics, such as melting point, boiling point, and solubility, would depend on the compound's molecular interactions and the presence of functional groups, which can significantly influence its behavior in various chemical environments.
Formula:C8H9F3N2O2
InChI:InChI=1S/C8H9F3N2O2/c1-3-15-7(14)5-4-12-13(2)6(5)8(9,10)11/h4H,3H2,1-2H3
InChI key:InChIKey=RQDQIVPSSDGXQU-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(C(F)(F)F)N(C)N=C1
Synonyms:
  • 1-Methyl-5-trifluoromethylpyrazole-4-carboxylic acid ethyl ester
  • 1-Methyl-5-trifluoromethylpyrazole-4-carboxylicacid ethyl ester
  • 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(trifluoromethyl)-, ethyl ester
  • Ethyl 1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
  • Ethyl 1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylate
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