2,3-Diphenyl-1-(3-(4-(2-Pyridyl)-1-Piperazinyl)Propyl)-3-Pyrazolin-5-One

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Properties Simple | Detailed

Formula C27H30N5O
IUPAC Name 1,5-diphenyl-2-[3-[4-(3h-pyridin-1-ium-3-id-2-yl)piperazin-1-yl]propyl]pyrazole-1,2-diium-3-one
Molecular Mass 440.560 g·mol−1
Heat of Formation 799.3 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 539.6 Å 3
Surface Area 413.61 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-di(phenyl)-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazol-3-one
  • 1,5-di(phenyl)-2-[3-[4-(2-pyridyl)-1-piperazinyl]propyl]-3-pyrazolone
  • 1,5-di(phenyl)-2-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]pyrazol-3-one
  • revenast
  • revenastum [latin]
InChIKey NOSNJBQFOSLJCA-UHFFFAOYSA-N
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