3-(1,1-Dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxylic acid

CAS Registry Number®

306937-00-8
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CAS Name

3-(1,1-Dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxylic acid

Molecular Formula

C16H20N2O2

Molecular Mass

272.34

Cite this Page

3-(1,1-Dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=306937-00-8 (retrieved 2024-07-07) (CAS RN: 306937-00-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H20N2O2/c1-11-6-5-7-12(8-11)10-18-13(15(19)20)9-14(17-18)16(2,3)4/h5-9H,10H2,1-4H3,(H,19,20)

InChIKey

InChIKey=GLRZXTWTYLYWEX-UHFFFAOYSA-N

SMILES

C(N1C(C(O)=O)=CC(C(C)(C)C)=N1)C2=CC(C)=CC=C2

Canonical SMILES

O=C(O)C1=CC(=NN1CC=2C=CC=C(C2)C)C(C)(C)C

Other Names for this Substance

  • 1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-
  • 3-(1,1-Dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxylic acid