1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid

113100-53-1

CAS Name

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

Molecular Formula

C₆H₅F₃N₂O₂

Molecular Mass

194.11

Compound Properties

• Melting Point (1)

  200-201 °C

Source(s)

• (1) Schlosser, Manfred; European Journal of Organic Chemistry, (2002), (17), 2913-2920, CAplus

Other Names and Identifiers

InChI

InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)

InChIKey

InChIKey=FZNKJQNEJGXCJH-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C(C(F)(F)F)=NN(C)C1

Canonical SMILES

O=C(O)C1=CN(N=C1C(F)(F)F)C

Other Names for this Substance