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    CAS 1224944-77-7

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    CAS 1224944-77-7
    Also known as: 1224944-77-7, Mfcd12407819, 5-chloro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester, Schembl402500, Dtxsid10728728, Ethyl5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
    Molecular Formula
    C9H8ClN3O2
    Molecular Weight
    225.63  g/mol
    InChI Key
    UOZKVCQDLXBWBG-UHFFFAOYSA-N
    1 2D Structure

    CAS 1224944-77-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
    2.1.2 InChI
    InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13/h3-5H,2H2,1H3
    2.1.3 InChI Key
    UOZKVCQDLXBWBG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=C2N=C(C=CN2N=C1)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1224944-77-7

    2. Mfcd12407819

    3. 5-chloro-pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid Ethyl Ester

    4. Schembl402500

    5. Dtxsid10728728

    6. Ethyl5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

    7. Amy22328

    8. Bcp14429

    9. Cs-d0465

    10. Zinc72232917

    11. Akos015969059

    12. Ds-0935

    13. Pb24026

    14. Ac-31284

    15. Sy046548

    16. A891117

    17. Ethyl 5-chloropyrazolo-[1,5-a]pyrimidine-3-carboxylate

    18. 5-chloro-pyrazolo1,5-apyrimidine-3-carboxylic Acid Ethyl Ester

    19. Pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid, 5-chloro-, Ethyl Ester

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 225.63 g/mol
    Molecular Formula C9H8ClN3O2
    XLogP31.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass225.0305042 g/mol
    Monoisotopic Mass225.0305042 g/mol
    Topological Polar Surface Area56.5 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity252
    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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