ChemSpider 2D Image | [1-(2,4-Difluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl][3-ethyl-4-(2-methoxyethyl)-1-piperazinyl]methanone | C21H28F2N4O2

[1-(2,4-Difluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl][3-ethyl-4-(2-methoxyethyl)-1-piperazinyl]methanone

  • Molecular FormulaC21H28F2N4O2
  • Average mass406.469 Da
  • Monoisotopic mass406.218048 Da
  • ChemSpider ID32011159

More details:

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

[1-(2,4-Difluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl][3-ethyl-4-(2-methoxyethyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[1-(2,4-Difluorophényl)-3,5-diméthyl-1H-pyrazol-4-yl][3-éthyl-4-(2-méthoxyéthyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
[1-(2,4-Difluorphenyl)-3,5-dimethyl-1H-pyrazol-4-yl][3-ethyl-4-(2-methoxyethyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [1-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl][3-ethyl-4-(2-methoxyethyl)-1-piperazinyl]- [ACD/Index 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: 515.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.5±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 17.07
ACD/KOC (pH 5.5): 166.32
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 83.87
ACD/KOC (pH 7.4): 816.92
Polar Surface Area: 51 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 38.6±7.0 dyne/cm
Molar Volume: 328.1±7.0 cm3

Click to predict properties on the Chemicalize site


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