5-(Hydroxymethyl)-1-Methyl-2-Phenyl-1,2-Dihydro-3H-Pyrazol-3-One

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Properties Simple | Detailed

Formula C11H12N2O2
IUPAC Name 5-(hydroxymethyl)-1-methyl-2-phenyl-pyrazol-3-one
Molecular Mass 204.225 g·mol−1
Heat of Formation -61.7 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 241.55 Å 3
Surface Area 227.14 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-5-methylol-2-phenyl-pyrazol-3-one
  • 3-hmap
  • 3-hydroxymethylantipyrine
  • 3h-pyrazol-3-one, 1,2-dihydro-5-(hydroxymethyl)-1-methyl-2-phenyl-
  • 5-(hydroxymethyl)-1-methyl-2-phenyl-3-pyrazolone
  • 5-(hydroxymethyl)-1-methyl-2-phenyl-pyrazol-3-one
  • 5-(hydroxymethyl)-1-methyl-2-phenylpyrazol-3-one
CAS Number(s)
  • 34957-05-6
  • 65426-35-9
  • 18125-49-0
InChIKey JBJKAGOWIZGVTR-UHFFFAOYSA-N
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