ChemSpider 2D Image | 1-(5-Cyano-2-isopropoxyphenyl)-3-[1-(2,2-difluoroethyl)-1H-pyrazol-4-yl]urea | C16H17F2N5O2

1-(5-Cyano-2-isopropoxyphenyl)-3-[1-(2,2-difluoroethyl)-1H-pyrazol-4-yl]urea

  • Molecular FormulaC16H17F2N5O2
  • Average mass349.335 Da
  • Monoisotopic mass349.135040 Da
  • ChemSpider ID30267534

More details:

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

1-(5-Cyan-2-isopropoxyphenyl)-3-[1-(2,2-difluorethyl)-1H-pyrazol-4-yl]harnstoff [German] [ACD/IUPAC Name]
1-(5-Cyano-2-isopropoxyphenyl)-3-[1-(2,2-difluoroethyl)-1H-pyrazol-4-yl]urea [ACD/IUPAC Name]
1-(5-Cyano-2-isopropoxyphényl)-3-[1-(2,2-difluoroéthyl)-1H-pyrazol-4-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[5-cyano-2-(1-methylethoxy)phenyl]-N'-[1-(2,2-difluoroethyl)-1H-pyrazol-4-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 426.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.6±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 87.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.67
ACD/KOC (pH 5.5): 897.14
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.69
ACD/KOC (pH 7.4): 897.27
Polar Surface Area: 92 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 262.7±7.0 cm3

Click to predict properties on the Chemicalize site


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