ChemSpider 2D Image | 1-[1-(2,4-Difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine | C23H22F2N4O

1-[1-(2,4-Difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine

  • Molecular FormulaC23H22F2N4O
  • Average mass408.444 Da
  • Monoisotopic mass408.176178 Da
  • ChemSpider ID23055684

More details:

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

1-[1-(2,4-Difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine [ACD/IUPAC Name]
1-[1-(2,4-Difluorophényl)-3-(2-méthylphényl)-1H-pyrazol-4-yl]-N-méthyl-N-[(3-méthyl-1,2-oxazol-5-yl)méthyl]méthanamine [French] [ACD/IUPAC Name]
1-[1-(2,4-Difluorphenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamin [German] [ACD/IUPAC Name]
5-Isoxazolemethanamine, N-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl]-N,3-dimethyl- [ACD/Index Name]
1-[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]-N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]methanamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 514.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.2±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 112.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 302.73
ACD/KOC (pH 5.5): 1148.71
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2235.74
ACD/KOC (pH 7.4): 8483.40
Polar Surface Area: 47 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 329.2±7.0 cm3

Click to predict properties on the Chemicalize site


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