ChemSpider 2D Image | 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea | C24H27N7O2

1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea

  • Molecular FormulaC24H27N7O2
  • Average mass445.517 Da
  • Monoisotopic mass445.222626 Da
  • ChemSpider ID25057509
  • Double-bond stereo - Double-bond stereo


More details:






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

1-[(3E)-2-(4-Methylphenyl)-5-(2-methyl-2-propanyl)-1,2-dihydro-3H-pyrazol-3-yliden]-3-{3-[(3-pyridinyloxy)methyl]-1H-pyrazol-5-yl}harnstoff [German] [ACD/IUPAC Name]
1-[(3E)-2-(4-Methylphenyl)-5-(2-methyl-2-propanyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(3-pyridinyloxy)methyl]-1H-pyrazol-5-yl}urea [ACD/IUPAC Name]
1-[(3E)-2-(4-Méthylphényl)-5-(2-méthyl-2-propanyl)-1,2-dihydro-3H-pyrazol-3-ylidène]-3-{3-[(3-pyridinyloxy)méthyl]-1H-pyrazol-5-yl}urée [French] [ACD/IUPAC Name]
1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea
Urea, N-[(3E)-5-(1,1-dimethylethyl)-1,2-dihydro-2-(4-methylphenyl)-3H-pyrazol-3-ylidene]-N'-[3-[(3-pyridinyloxy)methyl]-1H-pyrazol-5-yl]- [ACD/Index Name]

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: 1.649
Molar Refractivity: 127.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 80.93
ACD/KOC (pH 5.5): 567.03
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 272.04
ACD/KOC (pH 7.4): 1906.11
Polar Surface Area: 108 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 349.2±7.0 cm3

Click to predict properties on the Chemicalize site






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