N-(2,6-Diethylphenyl)-3-(4-(4-Methylpiperazin-1-Yl)Benzoylamino)-4,6-Dihydro-1H-Pyrrolo(3,4-C)Pyrazole-5-Carboxamide

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Formula C28H35N7O2
IUPAC Name n-(2,6-diethylphenyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4,6-dihydropyrrolo[3,4-c]pyrazol-1-ium-2-ide-5-carboxamide
Molecular Mass 501.623 g·mol−1
Heat of Formation 113.2 ± 16.7 kJ·mol−1
Dipole Moment 0.82 ± 1.08 D
Volume 609.88 Å 3
Surface Area 530.99 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • n-(2,6-diethylphenyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4,6-dihydro-1h-pyrrolo[3,4-d]pyrazole-5-carboxamide
  • n-(2,6-diethylphenyl)-3-[[4-(4-methylpiperazin-1-yl)phenyl]carbonylamino]-4,6-dihydro-1h-pyrrolo[3,4-d]pyrazole-5-carboxamide
  • n-(2,6-diethylphenyl)-3-[[[4-(4-methyl-1-piperazinyl)phenyl]-oxomethyl]amino]-4,6-dihydro-1h-pyrrolo[3,4-d]pyrazole-5-carboxamide
InChIKey OBWNXGOQPLDDPS-UHFFFAOYSA-N
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