ChemSpider 2D Image | 1-{3,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-[4-(2-pyrimidinyl)-1-piperazinyl]-1,2-ethanedione | C22H21F3N6O2

1-{3,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-[4-(2-pyrimidinyl)-1-piperazinyl]-1,2-ethanedione

  • Molecular FormulaC22H21F3N6O2
  • Average mass458.436 Da
  • Monoisotopic mass458.167816 Da
  • ChemSpider ID31042015

More details:

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

1,2-Ethanedione, 1-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]- [ACD/Index Name]
1-{3,5-Dimethyl-1-[3-(trifluormethyl)phenyl]-1H-pyrazol-4-yl}-2-[4-(2-pyrimidinyl)-1-piperazinyl]-1,2-ethandion [German] [ACD/IUPAC Name]
1-{3,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-[4-(2-pyrimidinyl)-1-piperazinyl]-1,2-ethanedione [ACD/IUPAC Name]
1-{3,5-Diméthyl-1-[3-(trifluorométhyl)phényl]-1H-pyrazol-4-yl}-2-[4-(2-pyrimidinyl)-1-pipérazinyl]-1,2-éthanedione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 620.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.2±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 116.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 59.91
ACD/KOC (pH 5.5): 613.63
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.78
ACD/KOC (pH 7.4): 755.61
Polar Surface Area: 84 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 325.7±7.0 cm3

Click to predict properties on the Chemicalize site


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