N-(1,5-Dimethyl-3-Oxo-2-Phenyl-2,3-Dihydro-1H-Pyrazol-4-Yl)Phenylalaninamide

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Properties Simple | Detailed

Formula C20H22N4O2
IUPAC Name (2s)-2-amino-n-(1,5-dimethyl-3-oxo-2-phenyl-pyrazole-1,2-diium-4-yl)-3-phenyl-propanamide
Molecular Mass 350.414 g·mol−1
Heat of Formation -5.9 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 425.35 Å 3
Surface Area 359.3 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-n-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-phenylpropanamide
  • (2s)-2-amino-n-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-phenyl-propanamide
  • (2s)-2-amino-n-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylpropanamide
  • (2s)-2-amino-n-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)-3-phenyl-propionamide
InChIKey WTJPUXLQJJVGOF-KRWDZBQOSA-N
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