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    Chemistry

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    Also known as: 29274-24-6, Pyrazolo[1,5-a]pyrimidine, 5-chloro-, 5-chloro-pyrazolo[1,5-a]pyrimidine, Mfcd04035683, Schembl405358, Dtxsid40610501
    Molecular Formula
    C6H4ClN3
    Molecular Weight
    153.57  g/mol
    InChI Key
    WEPRLWNMBTYGGD-UHFFFAOYSA-N
    CAS 29274-24-6
    1 2D Structure

    CAS 29274-24-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloropyrazolo[1,5-a]pyrimidine
    2.1.2 InChI
    InChI=1S/C6H4ClN3/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H
    2.1.3 InChI Key
    WEPRLWNMBTYGGD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CN2C(=CC=N2)N=C1Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 29274-24-6

    2. Pyrazolo[1,5-a]pyrimidine, 5-chloro-

    3. 5-chloro-pyrazolo[1,5-a]pyrimidine

    4. Mfcd04035683

    5. Schembl405358

    6. Dtxsid40610501

    7. Weprlwnmbtyggd-uhfffaoysa-n

    8. Bcp04275

    9. Cs-d1734

    10. Akos005073889

    11. Bg-0020

    12. Fs-2831

    13. Pb23376

    14. Sy009281

    15. 5-chloropyrazolo[1 Pound Not5-a]pyrimidine

    16. Db-011435

    17. Am20090387

    18. En300-51050

    19. 5-chloropyrazolo[1,5-a]pyrimidine, Aldrichcpr

    20. A819861

    21. J-517406

    22. Z608420946

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 153.57 g/mol
    Molecular Formula C6H4ClN3
    XLogP31.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area30.2
    Heavy Atom Count10
    Formal Charge0
    Complexity130
    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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