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Search term: XJTAMQGNTWILEK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-{[2-(4-Chlorophenyl)-1-azetidinyl]methyl}-1-(2-methyl-2-propanyl)-1H-pyrazole | C17H22ClN3

4-{[2-(4-Chlorophenyl)-1-azetidinyl]methyl}-1-(2-methyl-2-propanyl)-1H-pyrazole

  • Molecular FormulaC17H22ClN3
  • Average mass303.830 Da
  • Monoisotopic mass303.150238 Da
  • ChemSpider ID30406040

More details:

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

1H-Pyrazole, 4-[[2-(4-chlorophenyl)-1-azetidinyl]methyl]-1-(1,1-dimethylethyl)- [ACD/Index Name]
4-{[2-(4-Chlorophenyl)-1-azetidinyl]methyl}-1-(2-methyl-2-propanyl)-1H-pyrazole [ACD/IUPAC Name]
4-{[2-(4-Chlorophényl)-1-azétidinyl]méthyl}-1-(2-méthyl-2-propanyl)-1H-pyrazole [French] [ACD/IUPAC Name]
4-{[2-(4-Chlorphenyl)-1-azetidinyl]methyl}-1-(2-methyl-2-propanyl)-1H-pyrazol [German] [ACD/IUPAC Name]
1-TERT-BUTYL-4-{[2-(4-CHLOROPHENYL)AZETIDIN-1-YL]METHYL}-1H-PYRAZOLE
1-TERT-BUTYL-4-{[2-(4-CHLOROPHENYL)AZETIDIN-1-YL]METHYL}PYRAZOLE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 401.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 196.9±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 88.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 4.39
ACD/KOC (pH 5.5): 33.99
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 125.75
ACD/KOC (pH 7.4): 973.53
Polar Surface Area: 21 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 259.1±7.0 cm3

Click to predict properties on the Chemicalize site


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