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

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Properties Simple | Detailed

Formula C13H17N3O2
IUPAC Name (1s)-4-(dimethylamino)-5-(hydroxymethyl)-1-methyl-2-phenyl-pyrazol-3-one
Molecular Mass 247.293 g·mol−1
Heat of Formation -63.3 ± 16.7 kJ·mol−1
Dipole Moment 1.44 ± 1.08 D
Volume 302.82 Å 3
Surface Area 269.83 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxymethylaminopyrine
  • 3h-pyrazol-3-one, 4-(dimethylamino)-1,2-dihydro-5-(hydroxymethyl)-1-methyl-2-phenyl-
  • 4-dimethylamino-1-methyl-5-methylol-2-phenyl-pyrazol-3-one
  • 4-dimethylamino-3-hydroxymethyl-2-methyl-2-phenyl-3pyrazolin-5-one,
  • 4-dimethylamino-5-(hydroxymethyl)-1-methyl-2-phenyl-3-pyrazolone
  • 4-dimethylamino-5-(hydroxymethyl)-1-methyl-2-phenyl-pyrazol-3-one
  • 4-dimethylamino-5-(hydroxymethyl)-1-methyl-2-phenylpyrazol-3-one
CAS Number(s)
  • 13097-17-1
InChIKey BATBESUQPUOBOC-UHFFFAOYSA-N
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