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Search term: MF = 'C_{9}H_{12}BrN_{3}O'
ChemSpider 2D Image | (4-Brom-5-methyl-1H-pyrazol-3-yl)(1-pyrrolidinyl)methanon | C9H12BrN3O

(4-Brom-5-methyl-1H-pyrazol-3-yl)(1-pyrrolidinyl)methanon

  • Molecular FormulaC9H12BrN3O
  • Average mass258.115 Da
  • Monoisotopic mass257.016357 Da
  • ChemSpider ID21470419

More details:

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

(4-Brom-5-methyl-1H-pyrazol-3-yl)(1-pyrrolidinyl)methanon
(4-Brom-5-methyl-1H-pyrazol-3-yl)(1-pyrrolidinyl)methanon [German] [ACD/IUPAC Name]
(4-Bromo-5-methyl-1H-pyrazol-3-yl)(1-pyrrolidinyl)methanone [ACD/IUPAC Name]
(4-Bromo-5-méthyl-1H-pyrazol-3-yl)(1-pyrrolidinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, (4-bromo-5-methyl-1H-pyrazol-3-yl)-1-pyrrolidinyl- [ACD/Index Name]
(4-bromo-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
1257844-81-7 [RN]
4-bromo-3-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrazole
4-bromo-5-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazole
4-Bromo-5-methyl-3-[(pyrrolidin-1-yl)carbonyl]-1H-pyrazole
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 467.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.0±3.0 kJ/mol
    Flash Point: 236.6±28.7 °C
    Index of Refraction: 1.623
    Molar Refractivity: 56.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.07
    ACD/LogD (pH 5.5): 0.88
    ACD/BCF (pH 5.5): 2.73
    ACD/KOC (pH 5.5): 71.44
    ACD/LogD (pH 7.4): 0.88
    ACD/BCF (pH 7.4): 2.73
    ACD/KOC (pH 7.4): 71.43
    Polar Surface Area: 49 Å2
    Polarizability: 22.5±0.5 10-24cm3
    Surface Tension: 62.5±3.0 dyne/cm
    Molar Volume: 160.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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