3-{[4-(4-Methyl-1-Piperazinyl)Benzoyl]Amino}-N-[(1R)-1-Phenylpropyl]-1H-Thieno[3,2-C]Pyrazole-5-Carboxamide

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Formula C27H30N6O2S
IUPAC Name 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-n-[(1r)-1-phenylpropyl]-1h-thieno[3,2-c]pyrazole-5-carboxamide
Molecular Mass 502.631 g·mol−1
Heat of Formation 188.6 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 596.99 Å 3
Surface Area 522.15 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-n-[(1r)-1-phenylpropyl]-1h-thieno[5,4-d]pyrazole-5-carboxamide
  • 3-[[4-(4-methylpiperazin-1-yl)phenyl]carbonylamino]-n-[(1r)-1-phenylpropyl]-1h-thieno[5,4-d]pyrazole-5-carboxamide
  • 3-[[[4-(4-methyl-1-piperazinyl)phenyl]-oxomethyl]amino]-n-[(1r)-1-phenylpropyl]-1h-thieno[5,4-d]pyrazole-5-carboxamide
InChIKey BGKRQXRINOKEMF-OAQYLSRUSA-N
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