ChemSpider 2D Image | 4-({[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]methylene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C20H21F3N4O

4-({[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]methylene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC20H21F3N4O
  • Average mass390.402 Da
  • Monoisotopic mass390.166748 Da
  • ChemSpider ID35430097

More details:

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

3H-Pyrazol-3-one, 4-[[[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-({[2,5-Dimethyl-1-(2,2,2-trifluorethyl)-1H-pyrrol-3-yl]methylen}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-({[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]methylene}amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-({[2,5-Diméthyl-1-(2,2,2-trifluoroéthyl)-1H-pyrrol-3-yl]méthylène}amino)-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC 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: 471.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.4±3.0 kJ/mol
Flash Point: 238.6±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 15.78
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 28.51
ACD/KOC (pH 7.4): 241.47
Polar Surface Area: 41 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 37.2±7.0 dyne/cm
Molar Volume: 313.8±7.0 cm3

Click to predict properties on the Chemicalize site


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