ChemSpider 2D Image | 3-Bromo-N-{4-chloro-2-(~2~H_3_)methyl-6-[(~2~H_3_)methylcarbamoyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide | C18H8D6BrCl2N5O2

3-Bromo-N-{4-chloro-2-(2H3)methyl-6-[(2H3)methylcarbamoyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide

  • Molecular FormulaC18H8D6BrCl2N5O2
  • Average mass489.183 Da
  • Monoisotopic mass487.008453 Da
  • ChemSpider ID107438372

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrazole-5-carboxamide, 3-bromo-N-[4-chloro-2-(methyl-d3)-6-[(methyl-d3-amino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)- [ACD/Index Name]
3-Brom-N-{4-chlor-2-(2H3)methyl-6-[(2H3)methylcarbamoyl]phenyl}-1-(3-chlor-2-pyridinyl)-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
3-Bromo-N-{4-chloro-2-(2H3)methyl-6-[(2H3)methylcarbamoyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
3-Bromo-N-{4-chloro-2-(2H3)méthyl-6-[(2H3)méthylcarbamoyl]phényl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide [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: 526.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.3±30.1 °C
Index of Refraction: 1.699
Molar Refractivity: 112.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1017.61
ACD/KOC (pH 5.5): 4947.93
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1016.24
ACD/KOC (pH 7.4): 4941.28
Polar Surface Area: 89 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 290.3±7.0 cm3

Click to predict properties on the Chemicalize site


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