ChemSpider 2D Image | 1-(4-Fluorophenyl)-3-{1-[5-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}urea | C20H22FN7O

1-(4-Fluorophenyl)-3-{1-[5-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}urea

  • Molecular FormulaC20H22FN7O
  • Average mass395.433 Da
  • Monoisotopic mass395.186981 Da
  • ChemSpider ID29097373

More details:

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

1-(4-Fluorophenyl)-3-{1-[5-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}urea [ACD/IUPAC Name]
1-(4-Fluorophényl)-3-{1-[5-(4-méthyl-1-pipéridinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}urée [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-3-{1-[5-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl}harnstoff [German] [ACD/IUPAC Name]
Urea, N-(4-fluorophenyl)-N'-[1-[5-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1H-pyrazol-4-yl]- [ACD/Index Name]
1-(4-FLUOROPHENYL)-3-{1-[5-(4-METHYLPIPERIDIN-1-YL)PYRIMIDIN-4-YL]-1H-PYRAZOL-4-YL}UREA
1-(4-FLUOROPHENYL)-3-{1-[5-(4-METHYLPIPERIDIN-1-YL)PYRIMIDIN-4-YL]PYRAZOL-4-YL}UREA
N-(4-fluorophenyl)-N'-{1-[5-(4-methylpiperidino)-4-pyrimidinyl]-1H-pyrazol-4-yl}urea

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

Density: 1.4±0.1 g/cm3
Boiling Point: 504.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 259.1±30.1 °C
Index of Refraction: 1.685
Molar Refractivity: 108.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.91
ACD/KOC (pH 5.5): 415.09
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.91
ACD/KOC (pH 7.4): 415.08
Polar Surface Area: 88 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 284.8±7.0 cm3

Click to predict properties on the Chemicalize site


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