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    Technical details about CAS 18048-64-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 18048-64-1

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    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 18048-64-1, 1-(3,4-dimethylphenyl)-3-methyl-3-pyrazolin-5-one, 2-(3,4-dimethylphenyl)-5-methyl-4h-pyrazol-3-one, 3-methyl-1-(3,4-dimethylphenyl)-2-pyrazolin-5-one, 3h-pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-, Schembl4663211
    Molecular Formula
    C12H14N2O
    Molecular Weight
    202.25  g/mol
    InChI Key
    GJBBAPXESBCGRU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
    2.1.2 InChI
    InChI=1S/C12H14N2O/c1-8-4-5-11(6-9(8)2)14-12(15)7-10(3)13-14/h4-6H,7H2,1-3H3
    2.1.3 InChI Key
    GJBBAPXESBCGRU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NN(C(=O)C1)C2=CC(=C(C=C2)C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 18048-64-1

    2. 1-(3,4-dimethylphenyl)-3-methyl-3-pyrazolin-5-one

    3. 2-(3,4-dimethylphenyl)-5-methyl-4h-pyrazol-3-one

    4. 3-methyl-1-(3,4-dimethylphenyl)-2-pyrazolin-5-one

    5. 3h-pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-

    6. Schembl4663211

    7. Dtxsid40395407

    8. 2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3h-pyrazol-3-one

    9. Amy22080

    10. Bcp13325

    11. Cs-b0773

    12. Mfcd00638319

    13. Akos000289052

    14. Zinc100069082

    15. Ac-25855

    16. Da-28516

    17. A4000

    18. Ft-0688738

    19. F11572

    20. 2-pyrazolin-5-one,3-methyl-1-(3,4-xylyl)-

    21. Sr-01000511301

    22. Sr-01000511301-1

    23. 1-(3,4-dimethylphenyl)-3-methyl-1h-pyrazole-5(4h)-one

    24. 3h-pyrazol-3-one,2-(3,4-dimethyl Phenyl)-2,4-dihydro-5-methyl-

    2.3 Create Date
    2005-09-10
    3 Chemical and Physical Properties
    Molecular Weight 202.25 g/mol
    Molecular Formula C12H14N2O
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass202.110613074 g/mol
    Monoisotopic Mass202.110613074 g/mol
    Topological Polar Surface Area32.7 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity298
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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