ChemSpider 2D Image | 3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-{[4-(2-fluorophenyl)tetrahydro-2H-pyran-4-yl]methyl}butanamide | C21H27ClFN3O2

3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-{[4-(2-fluorophenyl)tetrahydro-2H-pyran-4-yl]methyl}butanamide

  • Molecular FormulaC21H27ClFN3O2
  • Average mass407.909 Da
  • Monoisotopic mass407.177582 Da
  • ChemSpider ID24993634

More details:

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

1H-Pyrazole-1-propanamide, 4-chloro-N-[[4-(2-fluorophenyl)tetrahydro-2H-pyran-4-yl]methyl]-β,3,5-trimethyl- [ACD/Index Name]
3-(4-Chlor-3,5-dimethyl-1H-pyrazol-1-yl)-N-{[4-(2-fluorphenyl)tetrahydro-2H-pyran-4-yl]methyl}butanamid [German] [ACD/IUPAC Name]
3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-{[4-(2-fluorophenyl)tetrahydro-2H-pyran-4-yl]methyl}butanamide [ACD/IUPAC Name]
3-(4-Chloro-3,5-diméthyl-1H-pyrazol-1-yl)-N-{[4-(2-fluorophényl)tétrahydro-2H-pyran-4-yl]méthyl}butanamide [French] [ACD/IUPAC 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: 576.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.6±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 108.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 602.67
ACD/KOC (pH 5.5): 3400.79
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 602.69
ACD/KOC (pH 7.4): 3400.90
Polar Surface Area: 56 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 323.9±7.0 cm3

Click to predict properties on the Chemicalize site


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