ChemSpider 2D Image | 1-(3-Methylbutyl)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine | C20H29N3

1-(3-Methylbutyl)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine

  • Molecular FormulaC20H29N3
  • Average mass311.464 Da
  • Monoisotopic mass311.236145 Da
  • ChemSpider ID22126497

More details:

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

1-(3-Methylbutyl)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin [German] [ACD/IUPAC Name]
1-(3-Methylbutyl)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine [ACD/IUPAC Name]
1-(3-Méthylbutyl)-3-[4-(4-méthylphényl)-1H-pyrazol-5-yl]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-(3-methylbutyl)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]- [ACD/Index Name]
1-(3-METHYLBUTYL)-3-[4-(4-METHYLPHENYL)-2H-PYRAZOL-3-YL]PIPERIDINE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 472.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.6±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 96.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 7.50
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 21.23
ACD/KOC (pH 7.4): 84.44
Polar Surface Area: 32 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 302.3±3.0 cm3

Click to predict properties on the Chemicalize site


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