ChemSpider 2D Image | 2-(4-Benzyl-1-piperidinyl)-1-[3-(2,4-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone | C33H39N3O2

2-(4-Benzyl-1-piperidinyl)-1-[3-(2,4-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

  • Molecular FormulaC33H39N3O2
  • Average mass509.682 Da
  • Monoisotopic mass509.304230 Da
  • ChemSpider ID22649512

More details:

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

2-(4-Benzyl-1-piperidinyl)-1-[3-(2,4-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanon [German] [ACD/IUPAC Name]
2-(4-Benzyl-1-piperidinyl)-1-[3-(2,4-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone [ACD/IUPAC Name]
2-(4-Benzyl-1-pipéridinyl)-1-[3-(2,4-diméthylphényl)-5-(4-éthoxyphényl)-4,5-dihydro-1H-pyrazol-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-(2,4-dimethylphenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[4-(phenylmethyl)-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 641.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.5±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 252.21
ACD/KOC (pH 5.5): 492.10
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 10736.81
ACD/KOC (pH 7.4): 20948.54
Polar Surface Area: 45 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 448.0±7.0 cm3

Click to predict properties on the Chemicalize site


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