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Search term: NWKLIKWHLFEAFY-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-3-[1-methyl-5-(3-pyridinylethynyl)-1H-pyrazol-3-yl]urea | C25H26F3N7O

1-{4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-3-[1-methyl-5-(3-pyridinylethynyl)-1H-pyrazol-3-yl]urea

  • Molecular FormulaC25H26F3N7O
  • Average mass497.515 Da
  • Monoisotopic mass497.215088 Da
  • ChemSpider ID29413892

More details:

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

1-{4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}-3-[1-methyl-5-(3-pyridinylethinyl)-1H-pyrazol-3-yl]harnstoff [German] [ACD/IUPAC Name]
1-{4-[(4-Methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-3-[1-methyl-5-(3-pyridinylethynyl)-1H-pyrazol-3-yl]urea [ACD/IUPAC Name]
1-{4-[(4-Méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}-3-[1-méthyl-5-(3-pyridinyléthynyl)-1H-pyrazol-3-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-N'-[1-methyl-5-[2-(3-pyridinyl)ethynyl]-1H-pyrazol-3-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.6±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 10.19
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 53.10
ACD/KOC (pH 7.4): 458.54
Polar Surface Area: 78 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 381.3±7.0 cm3

Click to predict properties on the Chemicalize site


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