ChemSpider 2D Image | 1-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)butyl]urea | C21H25F3N6O2

1-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)butyl]urea

  • Molecular FormulaC21H25F3N6O2
  • Average mass450.457 Da
  • Monoisotopic mass450.199097 Da
  • ChemSpider ID31713410

More details:

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

1-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-[4,4,4-trifluor-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)butyl]harnstoff [German] [ACD/IUPAC Name]
1-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)butyl]urea [ACD/IUPAC Name]
1-[(3,5-Diméthyl-1-phényl-1H-pyrazol-4-yl)méthyl]-3-[4,4,4-trifluoro-3-hydroxy-3-(1-méthyl-1H-imidazol-2-yl)butyl]urée [French] [ACD/IUPAC Name]
Urea, N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]-N'-[4,4,4-trifluoro-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)butyl]- [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: 701.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.0±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 113.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 62.86
ACD/KOC (pH 5.5): 509.53
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.85
ACD/KOC (pH 7.4): 1336.29
Polar Surface Area: 97 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 336.6±7.0 cm3

Click to predict properties on the Chemicalize site


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