4-Hydroxy-1,5-Dimethyl-2-Phenyl-1,2-Dihydro-3H-Pyrazol-3-One

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Properties Simple | Detailed

Formula C11H12N2O2
IUPAC Name 4-hydroxy-1,5-dimethyl-2-phenyl-pyrazole-1,2-diium-3-one
Molecular Mass 204.225 g·mol−1
Heat of Formation -51.1 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 241.34 Å 3
Surface Area 228.0 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 3h-pyrazol-3-one, 1,2-dihydro-4-hydroxy-1,5-dimethyl-2-phenyl-
  • 3h-pyrazol-3-one, 1,2-dihydro-4-hydroxy-1,5-dimethyl-2-phenyl- (9ci)
  • 4-hydroxy-1,5-dimethyl-2-phenyl-3-pyrazolone
  • 4-hydroxy-1,5-dimethyl-2-phenyl-pyrazol-3-one
  • 4-hydroxy-1,5-dimethyl-2-phenylpyrazol-3-one
  • 4-hydroxy-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
  • 4-hydroxyantipyrine
  • antipyrine, 4-hydroxy
  • bpbio1_000109
CAS Number(s)
  • 1672-63-5
InChIKey SKVPTPMWXJSBTF-UHFFFAOYSA-N
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