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

CAS Registry Number®

113100-53-1
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CAS Name

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

Molecular Formula

C6H5F3N2O2

Molecular Mass

194.11

Cite this Page

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=113100-53-1 (retrieved 2024-07-05) (CAS RN: 113100-53-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200-201 °C

Source(s)

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

  • 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-
  • 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
  • 1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
  • 3-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid