ChemSpider 2D Image | N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA | C20H21ClN4O

N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA

  • Molecular FormulaC20H21ClN4O
  • Average mass368.860 Da
  • Monoisotopic mass368.140381 Da
  • ChemSpider ID22252465

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(4-Chlorophenyl)-3-[(3E)-5-(2-methyl-2-propanyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]urea [ACD/IUPAC Name]
1-(4-Chlorophényl)-3-[(3E)-5-(2-méthyl-2-propanyl)-2-phényl-1,2-dihydro-3H-pyrazol-3-ylidène]urée [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-3-[(3E)-5-(2-methyl-2-propanyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-yliden]harnstoff [German] [ACD/IUPAC Name]
N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA
Urea, N-(4-chlorophenyl)-N'-[(3E)-5-(1,1-dimethylethyl)-1,2-dihydro-2-phenyl-3H-pyrazol-3-ylidene]- [ACD/Index Name]
3-[(3E)-5-tert-butyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-ylidene]-1-(4-chlorophenyl)urea

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 105.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1340.79
ACD/KOC (pH 5.5): 5933.30
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1409.41
ACD/KOC (pH 7.4): 6236.96
Polar Surface Area: 57 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 303.2±7.0 cm3

Click to predict properties on the Chemicalize site


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