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

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Properties Simple | Detailed

Formula C14H16N4O3
IUPAC Name n'-[(1s)-1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl]-n-methyl-oxamide
Molecular Mass 288.302 g·mol−1
Heat of Formation -191.4 ± 16.7 kJ·mol−1
Dipole Moment 7.15 ± 1.08 D
Volume 334.48 Å 3
Surface Area 309.21 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • n-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-n'-methyloxamide
  • n-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-n'-methyl-oxamide
  • n-(3-keto-1,5-dimethyl-2-phenyl-pyrazol-4-yl)-n'-methyl-oxamide
  • oxamide, n-antipyrinyl-n'-methyl- (7ci,8ci)
  • oxapyrine
CAS Number(s)
  • 2101-44-2
InChIKey CCKAYJIIJQAPMP-UHFFFAOYSA-N
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