ChemSpider 2D Image | 1-(3-Bromophenyl)-N-(5-cyano-2-fluorobenzyl)-1H-pyrazole-3-carboxamide | C18H12BrFN4O

1-(3-Bromophenyl)-N-(5-cyano-2-fluorobenzyl)-1H-pyrazole-3-carboxamide

  • Molecular FormulaC18H12BrFN4O
  • Average mass399.216 Da
  • Monoisotopic mass398.017853 Da
  • ChemSpider ID62282089

More details:

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

1-(3-Bromophenyl)-N-(5-cyano-2-fluorobenzyl)-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
1-(3-Bromophényl)-N-(5-cyano-2-fluorobenzyl)-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
1-(3-Bromphenyl)-N-(5-cyan-2-fluorbenzyl)-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxamide, 1-(3-bromophenyl)-N-[(5-cyano-2-fluorophenyl)methyl]- [ACD/Index Name]
1-(3-BROMOPHENYL)-N-[(5-CYANO-2-FLUOROPHENYL)METHYL]-1H-PYRAZOLE-3-CARBOXAMIDE
1-(3-BROMOPHENYL)-N-[(5-CYANO-2-FLUOROPHENYL)METHYL]PYRAZOLE-3-CARBOXAMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 628.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 334.1±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 98.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.10
ACD/KOC (pH 5.5): 699.06
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.69
ACD/KOC (pH 7.4): 694.72
Polar Surface Area: 71 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 266.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement