ChemSpider 2D Image | 3-Cyclohexyl-1-(3,5-dimethylbenzyl)-5-iodo-1H-pyrazole | C18H23IN2

3-Cyclohexyl-1-(3,5-dimethylbenzyl)-5-iodo-1H-pyrazole

  • Molecular FormulaC18H23IN2
  • Average mass394.293 Da
  • Monoisotopic mass394.090576 Da
  • ChemSpider ID117095559

More details:

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

1H-Pyrazole, 3-cyclohexyl-1-[(3,5-dimethylphenyl)methyl]-5-iodo- [ACD/Index Name]
3-Cyclohexyl-1-(3,5-dimethylbenzyl)-5-iod-1H-pyrazol [German] [ACD/IUPAC Name]
3-Cyclohexyl-1-(3,5-dimethylbenzyl)-5-iodo-1H-pyrazole [ACD/IUPAC Name]
3-Cyclohexyl-1-(3,5-diméthylbenzyl)-5-iodo-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: 482.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 245.4±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: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22273.59
ACD/KOC (pH 5.5): 45053.39
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22274.79
ACD/KOC (pH 7.4): 45055.82
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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