ChemSpider 2D Image | N-(1-{1-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-4-piperidinyl}-2-phenylethyl)-N,1-dimethyl-1H-pyrazole-3-carboxamide | C27H31ClN4O3

N-(1-{1-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-4-piperidinyl}-2-phenylethyl)-N,1-dimethyl-1H-pyrazole-3-carboxamide

  • Molecular FormulaC27H31ClN4O3
  • Average mass495.013 Da
  • Monoisotopic mass494.208466 Da
  • ChemSpider ID22162178

More details:

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

1H-Pyrazole-3-carboxamide, N-[1-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-piperidinyl]-2-phenylethyl]-N,1-dimethyl- [ACD/Index Name]
N-(1-{1-[(6-Chlor-1,3-benzodioxol-5-yl)methyl]-4-piperidinyl}-2-phenylethyl)-N,1-dimethyl-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
N-(1-{1-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-4-piperidinyl}-2-phenylethyl)-N,1-dimethyl-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
N-(1-{1-[(6-Chloro-1,3-benzodioxol-5-yl)méthyl]-4-pipéridinyl}-2-phényléthyl)-N,1-diméthyl-1H-pyrazole-3-carboxamide [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: 651.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.8±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 10.19
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 70.75
ACD/KOC (pH 7.4): 507.52
Polar Surface Area: 60 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 379.1±7.0 cm3

Click to predict properties on the Chemicalize site


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