(2-{[(4-Isopropyl-2-Methyl-5-Oxo-1-Phenyl-2,5-Dihydro-1H-Pyrazol-3-Yl)Methyl]Carbamoyl}Phenyl)Acetic Acid

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Properties Simple | Detailed

Formula C23H25N3O4
IUPAC Name 2-[2-[(4-isopropyl-2-methyl-5-oxo-1-phenyl-pyrazole-1,2-diium-3-yl)methylcarbamoyl]phenyl]acetic acid
Molecular Mass 407.462 g·mol−1
Heat of Formation -462.5 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 492.44 Å 3
Surface Area 379.95 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • 1-phenyl-2-methyl-3-(((2-acetoxybenzoyl)amino)methyl)pyrazolone
  • 2-[2-[(2-methyl-5-oxo-1-phenyl-4-propan-2-yl-pyrazol-3-yl)methylcarbamoyl]phenyl]ethanoic acid
  • 2-[2-[(2-methyl-5-oxo-1-phenyl-4-propan-2-ylpyrazol-3-yl)methylcarbamoyl]phenyl]acetic acid
  • 2-[2-[(4-isopropyl-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methylcarbamoyl]phenyl]acetic acid
  • 2-[2-[(4-isopropyl-5-keto-2-methyl-1-phenyl-pyrazol-3-yl)methylcarbamoyl]phenyl]acetic acid
  • 2-[2-[[(4-isopropyl-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methylamino]-oxomethyl]phenyl]acetic acid
  • acetic acid, 2-(o-(((4-isopropyl-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-yl)methyl
  • acetic acid, 2-(o-(((4-isopropyl-2-methyl-5-oxo-1-phenyl-3-pyrazolin-3-yl)methyl)carbamoyl)phenyl)-
  • aia
  • aspirin-isopropylantipyrine
  • n-(4-propylphenazol-5-yl)-2-acetoxybenzamide
  • n-3'a-propyphenazonyl-2-acetoxybenzamide
CAS Number(s)
  • 74512-62-2
InChIKey XKKOTFPJTLHMJF-UHFFFAOYSA-N
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