1-{4-Chloro-3-[(3-Pyridinyloxy)Methyl]Phenyl}-3-[3-(2-Methyl-2-Propanyl)-1H-Pyrazol-5-Yl]Urea

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Properties Simple | Detailed

Formula C20H22ClN5O2
IUPAC Name 1-(5-tert-butyl-4h-pyrazol-2-ium-4-id-3-yl)-3-[4-chloro-3-(3-pyridyloxymethyl)phenyl]urea
Molecular Mass 399.874 g·mol−1
Heat of Formation -12.1 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 462.69 Å 3
Surface Area 419.83 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-tert-butyl-1h-pyrazol-3-yl)-3-[4-chloro-3-(3-pyridyloxymethyl)phenyl]urea
  • 1-(5-tert-butyl-1h-pyrazol-3-yl)-3-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]urea
  • l09
  • n-(3-tert-butyl-1h-pyrazol-5-yl)-n'-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}urea
InChIKey NTMADESEDXKNFZ-UHFFFAOYSA-N
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