ChemSpider 2D Image | 3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[(4-fluorophenoxy)methyl]-1-piperidinyl}-1-butanone | C21H27ClFN3O2

3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[(4-fluorophenoxy)methyl]-1-piperidinyl}-1-butanone

  • Molecular FormulaC21H27ClFN3O2
  • Average mass407.909 Da
  • Monoisotopic mass407.177582 Da
  • ChemSpider ID24987627

More details:

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

1-Butanone, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]-1-piperidinyl]- [ACD/Index Name]
3-(4-Chlor-3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[(4-fluorphenoxy)methyl]-1-piperidinyl}-1-butanon [German] [ACD/IUPAC Name]
3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[(4-fluorophenoxy)methyl]-1-piperidinyl}-1-butanone [ACD/IUPAC Name]
3-(4-Chloro-3,5-diméthyl-1H-pyrazol-1-yl)-1-{3-[(4-fluorophénoxy)méthyl]-1-pipéridinyl}-1-butanone [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: 556.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.5±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 108.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2709.50
ACD/KOC (pH 5.5): 9973.61
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2709.60
ACD/KOC (pH 7.4): 9974.00
Polar Surface Area: 47 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 40.7±7.0 dyne/cm
Molar Volume: 324.6±7.0 cm3

Click to predict properties on the Chemicalize site


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