ChemSpider 2D Image | N-[(1-Benzyl-1H-pyrazol-4-yl)methyl]-N'-[3-(trifluoromethyl)-2-pyridinyl]-1,2-ethanediamine | C19H20F3N5

N-[(1-Benzyl-1H-pyrazol-4-yl)methyl]-N'-[3-(trifluoromethyl)-2-pyridinyl]-1,2-ethanediamine

  • Molecular FormulaC19H20F3N5
  • Average mass375.391 Da
  • Monoisotopic mass375.167084 Da
  • ChemSpider ID30290055

More details:






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

1,2-Ethanediamine, N1-[[1-(phenylmethyl)-1H-pyrazol-4-yl]methyl]-N2-[3-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
N-[(1-Benzyl-1H-pyrazol-4-yl)methyl]-N'-[3-(trifluormethyl)-2-pyridinyl]-1,2-ethandiamin [German] [ACD/IUPAC Name]
N-[(1-Benzyl-1H-pyrazol-4-yl)methyl]-N'-[3-(trifluoromethyl)-2-pyridinyl]-1,2-ethanediamine [ACD/IUPAC Name]
N-[(1-Benzyl-1H-pyrazol-4-yl)méthyl]-N'-[3-(trifluorométhyl)-2-pyridinyl]-1,2-éthanediamine [French] [ACD/IUPAC Name]
N-(2-{[(1-BENZYL-1H-PYRAZOL-4-YL)METHYL]AMINO}ETHYL)-3-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE
N-(2-{[(1-BENZYLPYRAZOL-4-YL)METHYL]AMINO}ETHYL)-3-(TRIFLUOROMETHYL)PYRIDIN-2-AMINE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 538.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.5±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 9.90
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 83.21
ACD/KOC (pH 7.4): 510.68
Polar Surface Area: 55 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 296.5±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement