ChemSpider 2D Image | 5-Iodo-3-(1-methylcyclopropyl)-1-{(1-methylcyclopropyl)[4-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-amine | C19H21F3IN3

5-Iodo-3-(1-methylcyclopropyl)-1-{(1-methylcyclopropyl)[4-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-amine

  • Molecular FormulaC19H21F3IN3
  • Average mass475.290 Da
  • Monoisotopic mass475.073212 Da
  • ChemSpider ID122454509

More details:

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

1H-Pyrazol-4-amine, 5-iodo-3-(1-methylcyclopropyl)-1-[(1-methylcyclopropyl)[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
5-Iod-3-(1-methylcyclopropyl)-1-{(1-methylcyclopropyl)[4-(trifluormethyl)phenyl]methyl}-1H-pyrazol-4-amin [German] [ACD/IUPAC Name]
5-Iodo-3-(1-methylcyclopropyl)-1-{(1-methylcyclopropyl)[4-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-amine [ACD/IUPAC Name]
5-Iodo-3-(1-méthylcyclopropyl)-1-{(1-méthylcyclopropyl)[4-(trifluorométhyl)phényl]méthyl}-1H-pyrazol-4-amine [French] [ACD/IUPAC 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: 499.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 256.1±28.7 °C
Index of Refraction: 1.660
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6286.56
ACD/KOC (pH 5.5): 18212.65
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6292.71
ACD/KOC (pH 7.4): 18230.49
Polar Surface Area: 44 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 277.3±7.0 cm3

Click to predict properties on the Chemicalize site


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