(3E)-5-Amino-3-[(2Z)-1-Cyano-2-(3H-Indol-3-Ylidene)Ethylidene]-2,3-Dihydro-1H-Pyrazole-4-Carbonitrile

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Properties Simple | Detailed

Formula C15H10N6
IUPAC Name (5e)-3-amino-5-[(2z)-1-cyano-2-indol-3-ylidene-ethylidene]pyrazole-1,2-diium-4-carbonitrile
Molecular Mass 274.280 g·mol−1
Heat of Formation 789.6 ± 16.7 kJ·mol−1
Dipole Moment 13.13 ± 1.08 D
Volume 322.05 Å 3
Surface Area 296.61 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • (5e)-3-amino-5-[(2z)-1-cyano-2-(3-indolylidene)ethylidene]-1,2-dihydropyrazole-4-carbonitrile
  • (5e)-3-amino-5-[(2z)-1-cyano-2-indol-3-ylidene-ethylidene]-1,2-dihydropyrazole-4-carbonitrile
  • 3-amino-5-(1-cyano-2-indol-3-ylidene-ethylidene)-1,2-dihydropyrazole-4-carbonitrile
  • 3-amino-5-(1-cyano-2-indol-3-ylideneethylidene)-1,2-dihydropyrazole-4-carbonitrile
  • 3-amino-5-[1-cyano-2-(3-indolylidene)ethylidene]-1,2-dihydropyrazole-4-carbonitrile
  • indole-containing inhibitor 11
InChIKey ZRMNFFUPLHIYCO-SEGXDNKWSA-N
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