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CAS 113100-55-3

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1H-Pyrazole-4-carboxylic acid, 3-methyl-1-(2,2,2-trifluoroethyl)-

Description:
1H-Pyrazole-4-carboxylic acid, 3-methyl-1-(2,2,2-trifluoroethyl)-, identified by CAS number 113100-55-3, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidic properties, and a trifluoroethyl substituent, which enhances its lipophilicity and may influence its biological activity. The presence of the methyl group at the 3-position of the pyrazole ring can affect the compound's steric and electronic properties. Generally, compounds of this nature are of interest in medicinal chemistry and agrochemicals due to their potential biological activities, including anti-inflammatory and antifungal properties. The trifluoroethyl group can also impart unique characteristics, such as increased metabolic stability. As with many pyrazole derivatives, the compound may exhibit diverse reactivity patterns, making it a valuable scaffold for further chemical modifications and applications in drug development.
Formula:C7H7F3N2O2
InChI:InChI=1S/C7H7F3N2O2/c1-4-5(6(13)14)2-12(11-4)3-7(8,9)10/h2H,3H2,1H3,(H,13,14)
InChI key:InChIKey=CHTJYARIOYPNAG-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CN(CC(F)(F)F)N=C1C
Synonyms:
  • 1H-Pyrazole-4-carboxylic acid, 3-methyl-1-(2,2,2-trifluoroethyl)-
  • 3-Methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylic acid
  • 3-Methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
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