ChemSpider 2D Image | 1-{1-[1-(4-Ethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-(2-methylphenyl)urea | C25H31N5O

1-{1-[1-(4-Ethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-(2-methylphenyl)urea

  • Molecular FormulaC25H31N5O
  • Average mass417.547 Da
  • Monoisotopic mass417.252869 Da
  • ChemSpider ID22143123

More details:

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

1-{1-[1-(4-Ethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-(2-methylphenyl)harnstoff [German] [ACD/IUPAC Name]
1-{1-[1-(4-Ethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-(2-methylphenyl)urea [ACD/IUPAC Name]
1-{1-[1-(4-Éthylbenzyl)-4-pipéridinyl]-1H-pyrazol-5-yl}-3-(2-méthylphényl)urée [French] [ACD/IUPAC Name]
Urea, N-[1-[1-[(4-ethylphenyl)methyl]-4-piperidinyl]-1H-pyrazol-5-yl]-N'-(2-methylphenyl)- [ACD/Index Name]
3-(1-{1-[(4-ETHYLPHENYL)METHYL]PIPERIDIN-4-YL}-1H-PYRAZOL-5-YL)-1-(2-METHYLPHENYL)UREA
3-(2-{1-[(4-ETHYLPHENYL)METHYL]PIPERIDIN-4-YL}PYRAZOL-3-YL)-1-(2-METHYLPHENYL)UREA
N-{1-[1-(4-ethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-N'-(2-methylphenyl)urea

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

Density: 1.2±0.1 g/cm3
Boiling Point: 513.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 264.1±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 125.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 6.93
ACD/KOC (pH 5.5): 28.91
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 354.06
ACD/KOC (pH 7.4): 1477.04
Polar Surface Area: 62 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 351.9±7.0 cm3

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