4-(4-Methyl-1-Piperazinyl)-N-[5-(2-Thienylacetyl)-1,5-Dihydropyrrolo[3,4-C]Pyrazol-3-Yl]Benzamide

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Formula C23H24N6O2S
IUPAC Name 4-(4-methylpiperazin-1-yl)-n-[5-[2-(2-thienyl)acetyl]pyrrolo[3,4-c]pyrazole-1,5-diium-3-yl]benzamide
Molecular Mass 448.541 g·mol−1
Heat of Formation 310.2 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 518.11 Å 3
Surface Area 466.39 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4-methyl-1-piperazinyl)-n-[5-[1-oxo-2-(2-thienyl)ethyl]-1h-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
  • 4-(4-methylpiperazin-1-yl)-n-[5-(2-thiophen-2-ylacetyl)-1h-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
  • 4-(4-methylpiperazin-1-yl)-n-[5-(2-thiophen-2-ylethanoyl)-1h-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
  • 4-(4-methylpiperazin-1-yl)-n-[5-[2-(2-thienyl)acetyl]-1h-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
InChIKey TYYNSDQVFIOSFH-UHFFFAOYSA-N
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