ChemSpider 2D Image | 1-{4-[({3-[4-(Trifluoromethyl)phenyl]-1H-pyrazol-4-yl}methyl)amino]phenyl}-1-butanone | C21H20F3N3O

1-{4-[({3-[4-(Trifluoromethyl)phenyl]-1H-pyrazol-4-yl}methyl)amino]phenyl}-1-butanone

  • Molecular FormulaC21H20F3N3O
  • Average mass387.398 Da
  • Monoisotopic mass387.155853 Da
  • ChemSpider ID24808375

More details:

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

1-{4-[({3-[4-(Trifluormethyl)phenyl]-1H-pyrazol-4-yl}methyl)amino]phenyl}-1-butanon [German] [ACD/IUPAC Name]
1-{4-[({3-[4-(Trifluoromethyl)phenyl]-1H-pyrazol-4-yl}methyl)amino]phenyl}-1-butanone [ACD/IUPAC Name]
1-{4-[({3-[4-(Trifluorométhyl)phényl]-1H-pyrazol-4-yl}méthyl)amino]phényl}-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[4-[[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]amino]phenyl]- [ACD/Index Name]
Kinome_3504

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

Density: 1.3±0.1 g/cm3
Boiling Point: 563.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.4±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3231.62
ACD/KOC (pH 5.5): 11314.17
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3231.97
ACD/KOC (pH 7.4): 11315.43
Polar Surface Area: 58 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

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