1-[(9Bs)-5-Oxo-2,3,5,9B-Tetrahydro-1H-Pyrrolo[2,1-A]Isoindol-9-Yl]-3-{5-[(2S)-2-Pyrrolidinyl]-1H-Pyrazol-3-Yl}Urea

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Properties Simple | Detailed

Formula C19H22N6O2
IUPAC Name 1-[(9bs)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-[5-[(2s)-pyrrolidin-2-yl]-4h-pyrazol-1-ium-4-id-3-yl]urea
Molecular Mass 366.417 g·mol−1
Heat of Formation -18.9 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 424.41 Å 3
Surface Area 378.27 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-(5-pyrrolidin-2-yl-1h-pyrazol-3-yl)-urea
  • 1-[(9bs)-5-keto-1,2,3,9b-tetrahydropyrrolo[1,2-b]isoindol-9-yl]-3-[5-[(2s)-pyrrolidin-2-yl]-1h-pyrazol-3-yl]urea
  • 1-[(9bs)-5-oxo-1,2,3,9b-tetrahydropyrrolo[1,2-b]isoindol-9-yl]-3-[5-[(2s)-2-pyrrolidinyl]-1h-pyrazol-3-yl]urea
  • 1-[(9bs)-5-oxo-1,2,3,9b-tetrahydropyrrolo[1,2-b]isoindol-9-yl]-3-[5-[(2s)-pyrrolidin-2-yl]-1h-pyrazol-3-yl]urea
  • 2pu
  • n'-(pyrrolidino[2,1-b]isoindolin-4-on-8-yl)-n-(5-(pyrrolidin-2-yl)pyrazol-3-yl)urea
  • pyrazole-3-yl urea deriv. 14b
InChIKey IWOOJEZSDPRYAZ-WFASDCNBSA-N
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