ChemSpider 2D Image | 1-[Cyclopropyl(2-methylphenyl)methyl]-5-iodo-3-isobutyl-1H-pyrazole | C18H23IN2

1-[Cyclopropyl(2-methylphenyl)methyl]-5-iodo-3-isobutyl-1H-pyrazole

  • Molecular FormulaC18H23IN2
  • Average mass394.293 Da
  • Monoisotopic mass394.090576 Da
  • ChemSpider ID117097213

More details:

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

1-[Cyclopropyl(2-methylphenyl)methyl]-5-iod-3-isobutyl-1H-pyrazol [German] [ACD/IUPAC Name]
1-[Cyclopropyl(2-methylphenyl)methyl]-5-iodo-3-isobutyl-1H-pyrazole [ACD/IUPAC Name]
1-[Cyclopropyl(2-méthylphényl)méthyl]-5-iodo-3-isobutyl-1H-pyrazole [French] [ACD/IUPAC Name]
1H-Pyrazole, 1-[cyclopropyl(2-methylphenyl)methyl]-5-iodo-3-(2-methylpropyl)- [ACD/Index 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: 463.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 234.2±28.7 °C
Index of Refraction: 1.645
Molar Refractivity: 97.0±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11248.93
ACD/KOC (pH 5.5): 27629.28
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11249.39
ACD/KOC (pH 7.4): 27630.40
Polar Surface Area: 18 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 267.3±7.0 cm3

Click to predict properties on the Chemicalize site


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