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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 88398-53-2, Refchem:72704, 826-619-3, 1h-pyrazole-4-sulfonamide, 1,3-dimethyl-, 1,3-dimethylpyrazole-4-sulfonamide, Mfcd06120837
    Molecular Formula
    C5H9N3O2S
    Molecular Weight
    175.21  g/mol
    InChI Key
    FQQRVLUHFKWHRT-UHFFFAOYSA-N
    CAS 88398-53-2
    1 2D Structure

    CAS 88398-53-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,3-dimethylpyrazole-4-sulfonamide
    2.1.2 InChI
    InChI=1S/C5H9N3O2S/c1-4-5(11(6,9)10)3-8(2)7-4/h3H,1-2H3,(H2,6,9,10)
    2.1.3 InChI Key
    FQQRVLUHFKWHRT-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 88398-53-2

    2. Refchem:72704

    3. 826-619-3

    4. 1h-pyrazole-4-sulfonamide, 1,3-dimethyl-

    5. 1,3-dimethylpyrazole-4-sulfonamide

    6. Mfcd06120837

    7. 1h-pyrazole-4-sulfonamide,1,3-dimethyl-(9ci)

    8. Schembl4760209

    9. Fqqrvluhfkwhrt-uhfffaoysa-n

    10. Dtxsid701283822

    11. Akos003859048

    12. Pb47888

    13. As-53793

    14. Sy099182

    15. Db-268027

    16. Cs-0052735

    17. En300-213970

    18. P17125

    19. F070700

    20. Z1216816888

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 175.21 g/mol
    Molecular Formula C5H9N3O2S
    XLogP3-0.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area86.4
    Heavy Atom Count11
    Formal Charge0
    Complexity233
    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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