ChemSpider 2D Image | (1'-Ethyl-3',5'-dimethyl-1'H,2H-3,4'-bipyrazol-5-yl){4-[2-(4-pyridinyl)ethyl]-1-piperazinyl}methanone | C22H29N7O

(1'-Ethyl-3',5'-dimethyl-1'H,2H-3,4'-bipyrazol-5-yl){4-[2-(4-pyridinyl)ethyl]-1-piperazinyl}methanone

  • Molecular FormulaC22H29N7O
  • Average mass407.512 Da
  • Monoisotopic mass407.243347 Da
  • ChemSpider ID29352211

More details:

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

(1'-Ethyl-3',5'-dimethyl-1'H,2H-3,4'-bipyrazol-5-yl){4-[2-(4-pyridinyl)ethyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
(1'-Ethyl-3',5'-dimethyl-1'H,2H-3,4'-bipyrazol-5-yl){4-[2-(4-pyridinyl)ethyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
(1'-Éthyl-3',5'-diméthyl-1'H,2H-3,4'-bipyrazol-5-yl){4-[2-(4-pyridinyl)éthyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (1-ethyl-3,5-dimethyl[4,5'-bi-1H-pyrazol]-3'-yl)[4-[2-(4-pyridinyl)ethyl]-1-piperazinyl]- [ACD/Index Name]
(1'-ethyl-3',5'-dimethyl-1'H,2H-3,4'-bipyrazol-5-yl){4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}methanone
[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
1491128-95-0 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 640.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.5±3.0 kJ/mol
    Flash Point: 340.8±31.5 °C
    Index of Refraction: 1.664
    Molar Refractivity: 118.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.21
    ACD/LogD (pH 5.5): 0.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.84
    ACD/LogD (pH 7.4): 1.35
    ACD/BCF (pH 7.4): 6.14
    ACD/KOC (pH 7.4): 123.95
    Polar Surface Area: 83 Å2
    Polarizability: 46.8±0.5 10-24cm3
    Surface Tension: 50.6±7.0 dyne/cm
    Molar Volume: 318.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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