ChemSpider 2D Image | 4-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide | C13H14BrN3O

4-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide

  • Molecular FormulaC13H14BrN3O
  • Average mass308.174 Da
  • Monoisotopic mass307.032013 Da
  • ChemSpider ID21119836

More details:

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

4-[(4-Brom-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamid [German] [ACD/IUPAC Name]
4-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide [ACD/IUPAC Name]
4-[(4-Bromo-3,5-diméthyl-1H-pyrazol-1-yl)méthyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]- [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: 479.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 243.8±28.7 °C
Index of Refraction: 1.644
Molar Refractivity: 74.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.01
ACD/KOC (pH 5.5): 479.27
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.01
ACD/KOC (pH 7.4): 479.29
Polar Surface Area: 61 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 205.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement