ChemSpider 2D Image | 1-(4-Methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea | C7H9F3N4O

1-(4-Methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea

  • Molecular FormulaC7H9F3N4O
  • Average mass222.168 Da
  • Monoisotopic mass222.072845 Da
  • ChemSpider ID42013518

More details:

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

1-(4-Methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluorethyl)harnstoff [German] [ACD/IUPAC Name]
1-(4-Methyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethyl)urea [ACD/IUPAC Name]
1-(4-Méthyl-1H-pyrazol-5-yl)-3-(2,2,2-trifluoroéthyl)urée [French] [ACD/IUPAC Name]
Urea, N-(4-methyl-1H-pyrazol-5-yl)-N'-(2,2,2-trifluoroethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 305.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 138.4±27.9 °C
Index of Refraction: 1.524
Molar Refractivity: 46.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 3.78
ACD/KOC (pH 5.5): 89.33
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.89
ACD/KOC (pH 7.4): 92.00
Polar Surface Area: 70 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 152.1±3.0 cm3

Click to predict properties on the Chemicalize site


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