5-(1-Methylethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

CAS Registry Number®

116344-18-4

CAS Name

5-(1-Methylethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

Molecular Formula

C13H14N2O2

Molecular Mass

230.26

Cite this Page

5-(1-Methylethyl)-1-phenyl-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=116344-18-4 (retrieved 2024-12-02) (CAS RN: 116344-18-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H14N2O2/c1-9(2)12-11(13(16)17)8-14-15(12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)

InChIKey

InChIKey=MQUOHNQYSXJILW-UHFFFAOYSA-N

SMILES

C(C)(C)C=1N(N=CC1C(O)=O)C2=CC=CC=C2

Canonical SMILES

O=C(O)C=1C=NN(C=2C=CC=CC2)C1C(C)C

Other Names for this Substance

  • 1H-Pyrazole-4-carboxylic acid, 5-(1-methylethyl)-1-phenyl-
  • 5-(1-Methylethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
  • 1-Phenyl-5-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

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