N-[3-(Tert-Butyl)-1-Methyl-1H-Pyrazol-5-Yl]-N'-(4-Chlorophenyl)Urea

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Properties Simple | Detailed

Formula C15H19ClN4O
IUPAC Name 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-(4-chlorophenyl)urea
Molecular Mass 306.791 g·mol−1
Heat of Formation 2.9 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 364.94 Å 3
Surface Area 336.55 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-tert-butyl-2-methyl-2h-pyrazol-3-yl)-3-(4-chloro-phenyl)-urea
  • 1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-(4-chlorophenyl)urea
  • 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-(4-chlorophenyl)urea
  • 1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea
  • bmu
InChIKey FWIJKWMXNHRSRO-UHFFFAOYSA-N
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Elements H C Cl O N