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    Technical details about CAS 926663-00-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 926663-00-5

    BUILDING BLOCK

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    2D Structure
    Also known as: 926663-00-5, Ethyl 5-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate, 1026456-01-8, Ethyl 5-oxo-4h-pyrazolo[1,5-a]pyrimidine-3-carboxylate, 5-oxo-4,5-dihydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester, Mfcd12407818
    Molecular Formula
    C9H9N3O3
    Molecular Weight
    207.19  g/mol
    InChI Key
    PCKVUOAPCLMZJI-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
    2.1.2 InChI
    InChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-10-12-4-3-7(13)11-8(6)12/h3-5H,2H2,1H3,(H,11,13)
    2.1.3 InChI Key
    PCKVUOAPCLMZJI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=C2NC(=O)C=CN2N=C1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 926663-00-5

    2. Ethyl 5-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate

    3. 1026456-01-8

    4. Ethyl 5-oxo-4h-pyrazolo[1,5-a]pyrimidine-3-carboxylate

    5. 5-oxo-4,5-dihydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid Ethyl Ester

    6. Mfcd12407818

    7. 5-hydroxy-pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid Ethyl Ester

    8. Schembl404918

    9. Dtxsid10582923

    10. Pckvuoapclmzji-uhfffaoysa-n

    11. Amy41209

    12. Bcp20685

    13. Cs-d1654

    14. Akos005073902

    15. Pb29995

    16. Ac-31766

    17. Am807426

    18. Sy096834

    19. Bb 0262438

    20. Ft-0681737

    21. A849205

    22. Ethyl5-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate

    23. Ethyl 5-oxo-1,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

    24. Ethyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

    25. 5-oxo-1,5-dihydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid Ethyl Ester

    2.3 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 207.19 g/mol
    Molecular Formula C9H9N3O3
    XLogP3-0.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area73.2
    Heavy Atom Count15
    Formal Charge0
    Complexity316
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1