4,5-Dihydro-3,5-bis(4-methylphenyl)-γ-oxo-1H-pyrazole-1-butanoic acid

CAS Registry Number®

362490-59-3
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CAS Name

4,5-Dihydro-3,5-bis(4-methylphenyl)-γ-oxo-1H-pyrazole-1-butanoic acid

Molecular Formula

C21H22N2O3

Molecular Mass

350.41

Cite this Page

4,5-Dihydro-3,5-bis(4-methylphenyl)-γ-oxo-1H-pyrazole-1-butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=362490-59-3 (retrieved 2024-09-06) (CAS RN: 362490-59-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H22N2O3/c1-14-3-7-16(8-4-14)18-13-19(17-9-5-15(2)6-10-17)23(22-18)20(24)11-12-21(25)26/h3-10,19H,11-13H2,1-2H3,(H,25,26)

InChIKey

InChIKey=GGRIZMPYVRYGHZ-UHFFFAOYSA-N

SMILES

C(CCC(O)=O)(=O)N1C(CC(=N1)C2=CC=C(C)C=C2)C3=CC=C(C)C=C3

Canonical SMILES

O=C(O)CCC(=O)N1N=C(C=2C=CC(=CC2)C)CC1C3=CC=C(C=C3)C

Other Names for this Substance

  • 1H-Pyrazole-1-butanoic acid, 4,5-dihydro-3,5-bis(4-methylphenyl)-γ-oxo-
  • 4,5-Dihydro-3,5-bis(4-methylphenyl)-γ-oxo-1H-pyrazole-1-butanoic acid