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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 739364-95-5, Mfcd19443280, 2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, Schembl5066688, Amy9287, Dtxsid40630527
    Molecular Formula
    C8H7N3O2
    Molecular Weight
    177.16  g/mol
    InChI Key
    YHVGUXFUOSJCFJ-UHFFFAOYSA-N
    CAS 739364-95-5
    1 2D Structure

    CAS 739364-95-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
    2.1.2 InChI
    InChI=1S/C8H7N3O2/c1-5-2-7-9-3-6(8(12)13)4-11(7)10-5/h2-4H,1H3,(H,12,13)
    2.1.3 InChI Key
    YHVGUXFUOSJCFJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NN2C=C(C=NC2=C1)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 739364-95-5

    2. Mfcd19443280

    3. 2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic Acid

    4. Schembl5066688

    5. Amy9287

    6. Dtxsid40630527

    7. Bcp09334

    8. Sc1102

    9. Zinc82398518

    10. Akos022708956

    11. Cs-w003908

    12. Ds-8624

    13. Pb21492

    14. Da-25788

    15. Sy033503

    16. Ft-0722862

    17. M2760

    18. A852234

    19. 2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylicacid

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 177.16 g/mol
    Molecular Formula C8H7N3O2
    XLogP30.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass177.053826475 g/mol
    Monoisotopic Mass177.053826475 g/mol
    Topological Polar Surface Area67.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity221
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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