ChemSpider 2D Image | 1-{3-Tert-Butyl-1-[4-(Hydroxymethyl)phenyl]-1h-Pyrazol-5-Yl}-3-Naphthalen-1-Ylurea | C25H26N4O2

1-{3-Tert-Butyl-1-[4-(Hydroxymethyl)phenyl]-1h-Pyrazol-5-Yl}-3-Naphthalen-1-Ylurea

  • Molecular FormulaC25H26N4O2
  • Average mass414.500 Da
  • Monoisotopic mass414.205566 Da
  • ChemSpider ID26362049

More details:

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

1-{1-[4-(Hydroxymethyl)phenyl]-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl}-3-(1-naphthyl)harnstoff [German] [ACD/IUPAC Name]
1-{1-[4-(Hydroxymethyl)phenyl]-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl}-3-(1-naphthyl)urea [ACD/IUPAC Name]
1-{1-[4-(Hydroxyméthyl)phényl]-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl}-3-(1-naphtyl)urée [French] [ACD/IUPAC Name]
1-{3-Tert-Butyl-1-[4-(Hydroxymethyl)phenyl]-1h-Pyrazol-5-Yl}-3-Naphthalen-1-Ylurea
Urea, N-[3-(1,1-dimethylethyl)-1-[4-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl]-N'-1-naphthalenyl- [ACD/Index Name]

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

437 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 541.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 281.1±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 122.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2512.98
ACD/KOC (pH 5.5): 9449.96
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2513.38
ACD/KOC (pH 7.4): 9451.45
Polar Surface Area: 79 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 342.9±7.0 cm3

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