ChemSpider 2D Image | 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-(1,3-Thiazol-2-Yl)urea | C18H21N5OS

1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-(1,3-Thiazol-2-Yl)urea

  • Molecular FormulaC18H21N5OS
  • Average mass355.457 Da
  • Monoisotopic mass355.146667 Da
  • ChemSpider ID26329450

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-(1,3-thiazol-2-yl)harnstoff [German] [ACD/IUPAC Name]
1-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea [ACD/IUPAC Name]
1-[1-(4-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urée [French] [ACD/IUPAC Name]
1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-(1,3-Thiazol-2-Yl)urea
Urea, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-2-thiazolyl- [ACD/Index Name]
Z87

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 102.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 646.95
ACD/KOC (pH 5.5): 3226.14
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 34.79
ACD/KOC (pH 7.4): 173.51
Polar Surface Area: 100 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 280.1±7.0 cm3

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