ChemSpider 2D Image | 2-Chloro-N-{1-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide | C22H27ClN4O

2-Chloro-N-{1-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide

  • Molecular FormulaC22H27ClN4O
  • Average mass398.929 Da
  • Monoisotopic mass398.187347 Da
  • ChemSpider ID23047260

More details:

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

2-Chlor-N-{1-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamid [German] [ACD/IUPAC Name]
2-Chloro-N-{1-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide [ACD/IUPAC Name]
2-Chloro-N-{1-[1-(3-cyclohexén-1-ylméthyl)-4-pipéridinyl]-1H-pyrazol-5-yl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-chloro-N-[1-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl]- [ACD/Index Name]
2-CHLORO-N-(1-{1-[(CYCLOHEX-3-EN-1-YL)METHYL]PIPERIDIN-4-YL}-1H-PYRAZOL-5-YL)BENZAMIDE
2-CHLORO-N-{2-[1-(CYCLOHEX-3-EN-1-YLMETHYL)PIPERIDIN-4-YL]PYRAZOL-3-YL}BENZAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 502.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.4±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 113.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 6.80
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 52.77
ACD/KOC (pH 7.4): 291.01
Polar Surface Area: 50 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 310.1±7.0 cm3

Click to predict properties on the Chemicalize site


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