1-Phenyl-3-Methylpyrazolone

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Properties Simple | Detailed

Formula C10H10N2O
IUPAC Name 5-methyl-2-phenyl-1h-pyrazol-3-one
Molecular Mass 174.199 g·mol−1
Heat of Formation 92.2 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 209.66 Å 3
Surface Area 206.36 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-dihydro-5-methyl-2-phenyl-3h-pyrazol-3-one
  • 1h-pyrazol-5-ol, 3-methyl-1-phenyl-
  • 3-methyl-1-phenyl-1h-pyrazol-5-ol
  • 3h-pyrazol-3-one, 1,2-dihydro-5-methyl-2-phenyl-
  • 5-methyl-2-phenyl-1h-pyrazol-3-one
  • n-demethylantipyrine
CAS Number(s)
  • 942-32-5
  • 19735-89-8
InChIKey KZQYIMCESJLPQH-UHFFFAOYSA-N
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