ChemSpider 2D Image | N-(3'-Chloro-3-biphenylyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide | C25H29ClN4O

N-(3'-Chloro-3-biphenylyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide

  • Molecular FormulaC25H29ClN4O
  • Average mass436.977 Da
  • Monoisotopic mass436.203003 Da
  • ChemSpider ID23065286

More details:

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

4-Piperidinecarboxamide, N-(3'-chloro[1,1'-biphenyl]-3-yl)-1-[[1-(1-methylethyl)-1H-pyrazol-4-yl]methyl]- [ACD/Index Name]
N-(3'-Chlor-3-biphenylyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-(3'-Chloro-3-biphenylyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
N-(3'-Chloro-3-biphénylyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)méthyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-[3-(3-chlorophenyl)phenyl]-1-[(1-isopropylpyrazol-4-yl)methyl]isonipecotamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 334.0±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 26.21
ACD/KOC (pH 5.5): 104.76
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1002.74
ACD/KOC (pH 7.4): 4007.58
Polar Surface Area: 50 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 356.5±7.0 cm3

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