(1E)-N-Hydroxy-5-[1-(4-Piperidinyl)-3-(4-Pyridinyl)-1H-Pyrazol-4-Yl]-1-Indanimine

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Properties Simple | Detailed

Formula C22H23N5O
IUPAC Name 5-[2-(4-piperidyl)-5-(4-pyridyl)-3h-pyrazol-2-ium-3-ylium-4-yl]indan-1-one oxime
Molecular Mass 373.451 g·mol−1
Heat of Formation 367.5 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 447.33 Å 3
Surface Area 390.12 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (ne)-n-[5-(1-piperidin-4-yl-3-pyridin-4-yl-pyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
  • (ne)-n-[5-(1-piperidin-4-yl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydroinden-1-ylidene]hydroxylamine
  • 5-[1-(4-piperidinyl)-3-(4-pyridyl)-4-pyrazolyl]-1-indanone oxime
  • 5-[1-(4-piperidyl)-3-(4-pyridyl)pyrazol-4-yl]indan-1-one oxime
InChIKey KWEFZSZCLBHIEQ-YYADALCUSA-N
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