ChemSpider 2D Image | N-[2-(Dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(6-oxo-1,6-dihydro-3-pyridazinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide | C21H23F3N6O2

N-[2-(Dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(6-oxo-1,6-dihydro-3-pyridazinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC21H23F3N6O2
  • Average mass448.441 Da
  • Monoisotopic mass448.183472 Da
  • ChemSpider ID30525486

More details:

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

1H-Pyrazole-4-carboxamide, 1-(1,6-dihydro-6-oxo-3-pyridazinyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-(trifluoromethyl)- [ACD/Index Name]
N-[2-(Dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(6-oxo-1,6-dihydro-3-pyridazinyl)-5-(trifluormethyl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[2-(Dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(6-oxo-1,6-dihydro-3-pyridazinyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-[2-(Diméthylamino)-2-(4-éthylphényl)éthyl]-1-(6-oxo-1,6-dihydro-3-pyridazinyl)-5-(trifluorométhyl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
N-[2-(DIMETHYLAMINO)-2-(4-ETHYLPHENYL)ETHYL]-1-(6-OXO-1H-PYRIDAZIN-3-YL)-5-(TRIFLUOROMETHYL)PYRAZOLE-4-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 113.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 3.41
ACD/KOC (pH 7.4): 58.63
Polar Surface Area: 92 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 331.3±7.0 cm3

Click to predict properties on the Chemicalize site


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