1-[1-(3-Aminophenyl)-3-Tert-Butyl-1H-Pyrazol-5-Yl]-3-Phenylurea

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Properties Simple | Detailed

Formula C20H23N5O
IUPAC Name 1-[2-(3-aminophenyl)-5-tert-butyl-pyrazol-3-yl]-3-phenyl-urea
Molecular Mass 349.430 g·mol−1
Heat of Formation 157.3 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 431.48 Å 3
Surface Area 387.6 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-(3-aminophenyl)-5-tert-butyl-3-pyrazolyl]-3-phenylurea
  • 1-[2-(3-aminophenyl)-5-tert-butylpyrazol-3-yl]-3-phenylurea
InChIKey DHNYNLNKNQJSHF-UHFFFAOYSA-N
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