ChemSpider 2D Image | 1-[(4-Cyclobutylphenyl)(1-methylcyclopropyl)methyl]-5-iodo-3-(trifluoromethyl)-1H-pyrazol-4-amine | C19H21F3IN3

1-[(4-Cyclobutylphenyl)(1-methylcyclopropyl)methyl]-5-iodo-3-(trifluoromethyl)-1H-pyrazol-4-amine

  • Molecular FormulaC19H21F3IN3
  • Average mass475.290 Da
  • Monoisotopic mass475.073212 Da
  • ChemSpider ID122489215

More details:

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

1-[(4-Cyclobutylphenyl)(1-methylcyclopropyl)methyl]-5-iod-3-(trifluormethyl)-1H-pyrazol-4-amin [German] [ACD/IUPAC Name]
1-[(4-Cyclobutylphenyl)(1-methylcyclopropyl)methyl]-5-iodo-3-(trifluoromethyl)-1H-pyrazol-4-amine [ACD/IUPAC Name]
1-[(4-Cyclobutylphényl)(1-méthylcyclopropyl)méthyl]-5-iodo-3-(trifluorométhyl)-1H-pyrazol-4-amine [French] [ACD/IUPAC Name]
1H-Pyrazol-4-amine, 1-[(4-cyclobutylphenyl)(1-methylcyclopropyl)methyl]-5-iodo-3-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 511.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 263.0±30.1 °C
Index of Refraction: 1.671
Molar Refractivity: 102.0±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 15104.20
ACD/KOC (pH 5.5): 34118.17
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 15104.21
ACD/KOC (pH 7.4): 34118.20
Polar Surface Area: 44 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 272.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement