(1-Isobutyl-3,4-Diphenyl-1H-Pyrazol-5-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C21H22N2O2
IUPAC Name 2-(2-isobutyl-4,5-diphenyl-pyrazol-3-yl)acetic acid
Molecular Mass 334.412 g·mol−1
Heat of Formation -95.9 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 416.47 Å 3
Surface Area 347.96 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1-isobutyl-3,4-diphenyl-5-pyrazolylessigsaeure
  • 1-isobutyl-3,4-diphenylpyrazole-5-acetic acid
  • 1h-pyrazole-5-acetic acid, 1-(2-methylpropyl)-3,4-diphenyl-
  • 2-[2-(2-methylpropyl)-4,5-di(phenyl)pyrazol-3-yl]acetic acid
  • 2-[2-(2-methylpropyl)-4,5-di(phenyl)pyrazol-3-yl]ethanoic acid
  • 2-[2-isobutyl-4,5-di(phenyl)-3-pyrazolyl]acetic acid
  • 2-[2-isobutyl-4,5-di(phenyl)pyrazol-3-yl]acetic acid
  • bufezolac
  • lm 22070
  • lm-22070
CAS Number(s)
  • 50270-32-1
InChIKey JBJASTVVFKIZBG-UHFFFAOYSA-N
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