ChemSpider 2D Image | N-[(3-Bromophenyl)(cyano)methyl]-1-(3-fluorophenyl)-1H-pyrazole-3-carboxamide | C18H12BrFN4O

N-[(3-Bromophenyl)(cyano)methyl]-1-(3-fluorophenyl)-1H-pyrazole-3-carboxamide

  • Molecular FormulaC18H12BrFN4O
  • Average mass399.216 Da
  • Monoisotopic mass398.017853 Da
  • ChemSpider ID62278304

More details:

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

1H-Pyrazole-3-carboxamide, N-[(3-bromophenyl)cyanomethyl]-1-(3-fluorophenyl)- [ACD/Index Name]
N-[(3-Bromophenyl)(cyano)methyl]-1-(3-fluorophenyl)-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
N-[(3-Bromophényl)(cyano)méthyl]-1-(3-fluorophényl)-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
N-[(3-Bromphenyl)(cyan)methyl]-1-(3-fluorphenyl)-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
1808603-64-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 615.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.8±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: 3.65
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 142.33
ACD/KOC (pH 5.5): 1197.24
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 36.78
ACD/KOC (pH 7.4): 309.40
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


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