ChemSpider 2D Image | N-[4-(2-Methoxyphenoxy)phenyl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide | C21H16F3N3O3S

N-[4-(2-Methoxyphenoxy)phenyl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide

  • Molecular FormulaC21H16F3N3O3S
  • Average mass447.430 Da
  • Monoisotopic mass447.086456 Da
  • ChemSpider ID21761773

More details:

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

1H-Thieno[2,3-c]pyrazole-5-carboxamide, N-[4-(2-methoxyphenoxy)phenyl]-1-methyl-3-(trifluoromethyl)- [ACD/Index Name]
N-[4-(2-Methoxyphenoxy)phenyl]-1-methyl-3-(trifluormethyl)-1H-thieno[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
N-[4-(2-Methoxyphenoxy)phenyl]-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
N-[4-(2-Méthoxyphénoxy)phényl]-1-méthyl-3-(trifluorométhyl)-1H-thiéno[2,3-c]pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
1-Methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid [4-(2-methoxy-phenoxy)-phenyl]-amide
N-[4-(2-methoxyphenoxy)phenyl][1-methyl-3-(trifluoromethyl)thiopheno[4,5-d]pyrazol-5-yl]carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 489.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.5±28.7 °C
Index of Refraction: 1.622
Molar Refractivity: 110.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1807.67
ACD/KOC (pH 5.5): 7465.19
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1807.50
ACD/KOC (pH 7.4): 7464.52
Polar Surface Area: 94 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 313.7±7.0 cm3

Click to predict properties on the Chemicalize site


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