ChemSpider 2D Image | 1-[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(3'-methyl-4-biphenylyl)-4-piperidinecarboxamide | C28H36N4O

1-[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(3'-methyl-4-biphenylyl)-4-piperidinecarboxamide

  • Molecular FormulaC28H36N4O
  • Average mass444.612 Da
  • Monoisotopic mass444.288910 Da
  • ChemSpider ID22156838

More details:

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

1-[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(3'-methyl-4-biphenylyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(3'-methyl-4-biphenylyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
1-[(1-Isopropyl-3,5-diméthyl-1H-pyrazol-4-yl)méthyl]-N-(3'-méthyl-4-biphénylyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[[3,5-dimethyl-1-(1-methylethyl)-1H-pyrazol-4-yl]methyl]-N-(3'-methyl[1,1'-biphenyl]-4-yl)- [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: 621.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.8±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 135.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 65.50
ACD/KOC (pH 5.5): 185.31
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 2831.13
ACD/KOC (pH 7.4): 8009.19
Polar Surface Area: 50 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 40.7±7.0 dyne/cm
Molar Volume: 392.8±7.0 cm3

Click to predict properties on the Chemicalize site


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