ChemSpider 2D Image | 5-Iodo-1-[1-(4-isopropylphenyl)-2,2-dimethylpropyl]-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile | C19H21F3IN3

5-Iodo-1-[1-(4-isopropylphenyl)-2,2-dimethylpropyl]-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC19H21F3IN3
  • Average mass475.290 Da
  • Monoisotopic mass475.073212 Da
  • ChemSpider ID122480204

More details:

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

1H-Pyrazole-4-carbonitrile, 1-[2,2-dimethyl-1-[4-(1-methylethyl)phenyl]propyl]-5-iodo-3-(trifluoromethyl)- [ACD/Index Name]
5-Iod-1-[1-(4-isopropylphenyl)-2,2-dimethylpropyl]-3-(trifluormethyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Iodo-1-[1-(4-isopropylphenyl)-2,2-dimethylpropyl]-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Iodo-1-[1-(4-isopropylphényl)-2,2-diméthylpropyl]-3-(trifluorométhyl)-1H-pyrazole-4-carbonitrile [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: 490.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 250.5±28.7 °C
Index of Refraction: 1.565
Molar Refractivity: 106.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41496.45
ACD/KOC (pH 5.5): 70332.42
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41496.45
ACD/KOC (pH 7.4): 70332.42
Polar Surface Area: 42 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 35.2±7.0 dyne/cm
Molar Volume: 326.3±7.0 cm3

Click to predict properties on the Chemicalize site


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