ChemSpider 2D Image | 3-Cyclobutyl-5-iodo-1-(4-isobutylbenzyl)-1H-pyrazole | C18H23IN2

3-Cyclobutyl-5-iodo-1-(4-isobutylbenzyl)-1H-pyrazole

  • Molecular FormulaC18H23IN2
  • Average mass394.293 Da
  • Monoisotopic mass394.090576 Da
  • ChemSpider ID117089897

More details:

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

1H-Pyrazole, 3-cyclobutyl-5-iodo-1-[[4-(2-methylpropyl)phenyl]methyl]- [ACD/Index Name]
3-Cyclobutyl-5-iod-1-(4-isobutylbenzyl)-1H-pyrazol [German] [ACD/IUPAC Name]
3-Cyclobutyl-5-iodo-1-(4-isobutylbenzyl)-1H-pyrazole [ACD/IUPAC Name]
3-Cyclobutyl-5-iodo-1-(4-isobutylbenzyl)-1H-pyrazole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 471.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 239.1±28.7 °C
Index of Refraction: 1.644
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14678.12
ACD/KOC (pH 5.5): 33425.94
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14678.87
ACD/KOC (pH 7.4): 33427.66
Polar Surface Area: 18 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 268.2±7.0 cm3

Click to predict properties on the Chemicalize site


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