ChemSpider 2D Image | (1e)-1-[5-Tert-Butyl-2-(3-Fluorophenyl)-1h-Pyrazol-3-Ylidene]-3-(4-Pyridin-3-Yloxyphenyl)urea | C25H24FN5O2

(1e)-1-[5-Tert-Butyl-2-(3-Fluorophenyl)-1h-Pyrazol-3-Ylidene]-3-(4-Pyridin-3-Yloxyphenyl)urea

  • Molecular FormulaC25H24FN5O2
  • Average mass445.489 Da
  • Monoisotopic mass445.191406 Da
  • ChemSpider ID35034677

  • Double-bond stereo - Double-bond stereo

More details:

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

(1e)-1-[5-Tert-Butyl-2-(3-Fluorophenyl)-1h-Pyrazol-3-Ylidene]-3-(4-Pyridin-3-Yloxyphenyl)urea
1-[(3E)-2-(3-Fluorophenyl)-5-(2-methyl-2-propanyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-[4-(3-pyridinyloxy)phenyl]urea [ACD/IUPAC Name]
1-[(3E)-2-(3-Fluorophényl)-5-(2-méthyl-2-propanyl)-1,2-dihydro-3H-pyrazol-3-ylidène]-3-[4-(3-pyridinyloxy)phényl]urée [French] [ACD/IUPAC Name]
1-[(3E)-2-(3-Fluorphenyl)-5-(2-methyl-2-propanyl)-1,2-dihydro-3H-pyrazol-3-yliden]-3-[4-(3-pyridinyloxy)phenyl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-[(3E)-5-(1,1-dimethylethyl)-2-(3-fluorophenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-N'-[4-(3-pyridinyloxy)phenyl]- [ACD/Index Name]

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: 1.617
Molar Refractivity: 125.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1215.61
ACD/KOC (pH 5.5): 5459.23
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1343.01
ACD/KOC (pH 7.4): 6031.37
Polar Surface Area: 79 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 359.7±7.0 cm3

Click to predict properties on the Chemicalize site


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