ChemSpider 2D Image | 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-[4-(Pyridin-3-Yl)phenyl]urea | C26H27N5O

1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-[4-(Pyridin-3-Yl)phenyl]urea

  • Molecular FormulaC26H27N5O
  • Average mass425.526 Da
  • Monoisotopic mass425.221558 Da
  • ChemSpider ID30837671

More details:






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

1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-[4-(3-pyridinyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-[4-(3-pyridinyl)phenyl]urea [ACD/IUPAC Name]
1-[1-(4-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-[4-(3-pyridinyl)phényl]urée [French] [ACD/IUPAC Name]
1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-[4-(Pyridin-3-Yl)phenyl]urea
Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[4-(3-pyridinyl)phenyl]- [ACD/Index Name]
10.1016/j.bmcl.2013.07.050
KAO

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

Density: 1.2±0.1 g/cm3
Boiling Point: 526.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.3±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 129.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 7588.37
ACD/KOC (pH 5.5): 19485.97
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9587.32
ACD/KOC (pH 7.4): 24619.04
Polar Surface Area: 72 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 365.5±7.0 cm3

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