ChemSpider 2D Image | 5-(2-((4-Methoxybenzyl)oxy)ethyl)-1H-pyrazol-3-amine | C13H17N3O2

5-(2-((4-Methoxybenzyl)oxy)ethyl)-1H-pyrazol-3-amine

  • Molecular FormulaC13H17N3O2
  • Average mass247.293 Da
  • Monoisotopic mass247.132080 Da
  • ChemSpider ID28638204

More details:

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

1425931-97-0 [RN]
1H-Pyrazol-3-amine, 5-[2-[(4-methoxyphenyl)methoxy]ethyl]- [ACD/Index Name]
5-(2-((4-Methoxybenzyl)oxy)ethyl)-1H-pyrazol-3-amine
5-{2-[(4-Methoxybenzyl)oxy]ethyl}-1H-pyrazol-3-amin [German] [ACD/IUPAC Name]
5-{2-[(4-Methoxybenzyl)oxy]ethyl}-1H-pyrazol-3-amine [ACD/IUPAC Name]
5-{2-[(4-Méthoxybenzyl)oxy]éthyl}-1H-pyrazol-3-amine [French] [ACD/IUPAC Name]
5-(2-((4-Methoxybenzyl)oxy)-ethyl)-1H-pyrazol-3-amine
5-[2-[(4-methoxyphenyl)methoxy]ethyl]-1H-pyrazol-3-amine
5-{2-[(4-METHOXYPHENYL)METHOXY]ETHYL}-1H-PYRAZOL-3-AMINE
MFCD22690775 [MDL number]

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

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 461.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.3±3.0 kJ/mol
    Flash Point: 233.0±27.3 °C
    Index of Refraction: 1.605
    Molar Refractivity: 70.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.61
    ACD/LogD (pH 5.5): 1.64
    ACD/BCF (pH 5.5): 9.88
    ACD/KOC (pH 5.5): 167.75
    ACD/LogD (pH 7.4): 1.75
    ACD/BCF (pH 7.4): 12.48
    ACD/KOC (pH 7.4): 211.73
    Polar Surface Area: 73 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 53.9±3.0 dyne/cm
    Molar Volume: 203.6±3.0 cm3

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