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    N-[3-chloro-1-(3-pyridyl)-1H-pyrazol-4-yl]-N-ethyl-3-[(3,3,3-trifluoropropyl)thio]propionamide

    INTERMEDIATES

    PharmaCompass
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    2D Structure
    Also known as: 1477919-27-9, Tyclopyrazoflor [iso], Sj5cfr2sph, N-(3-chloro-1-(3-pyridyl)pyrazol-4-yl)-n-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide, N-(3-chloro-1-(3-pyridinyl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)thio)propanamide, N-(3-chloro-1-(pyridin-3-yl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)sulfanyl)propanamide
    Molecular Formula
    C16H18ClF3N4OS
    Molecular Weight
    406.9  g/mol
    InChI Key
    DBHVHTPMRCXCIY-UHFFFAOYSA-N
    FDA UNII
    SJ5CFR2SPH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide
    2.1.2 InChI
    InChI=1S/C16H18ClF3N4OS/c1-2-23(14(25)5-8-26-9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3
    2.1.3 InChI Key
    DBHVHTPMRCXCIY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(C1=CN(N=C1Cl)C2=CN=CC=C2)C(=O)CCSCCC(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    SJ5CFR2SPH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1477919-27-9

    2. Tyclopyrazoflor [iso]

    3. Sj5cfr2sph

    4. N-(3-chloro-1-(3-pyridyl)pyrazol-4-yl)-n-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide

    5. N-(3-chloro-1-(3-pyridinyl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)thio)propanamide

    6. N-(3-chloro-1-(pyridin-3-yl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)sulfanyl)propanamide

    7. Propanamide, N-(3-chloro-1-(3-pyridinyl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)thio)-

    8. N-[3-chloro-1-(3-pyridinyl)-1h-pyrazol-4-yl]-n-ethyl-3-[(3,3,3-trifluoropropyl)thio]propanamide

    9. N-[3-chloro-1-(pyridin-3-yl)-1h-pyrazol-4-yl]-n-ethyl-3-[(3,3,3-trifluoropropyl)sulfanyl]propanamide

    10. Propanamide, N-[3-chloro-1-(3-pyridinyl)-1h-pyrazol-4-yl]-n-ethyl-3-[(3,3,3-trifluoropropyl)thio]-

    11. Unii-sj5cfr2sph

    12. Schembl15346456

    13. Dtxsid20894948

    14. Xde-607

    15. Chebi:143525

    16. Hy-114117

    17. Cs-0069895

    18. X12317607

    19. N-(3-chloro-1-(pyridin-3-yl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)thio) Propanamide

    20. N-(3-chloro-1-(pyridin-3-yl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)thio)propanamide

    21. N-(3-chloro-1-(pyridin-3-yl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluropropyl)thio)propanamide

    22. N-[3-chloro-1-(3-pyridyl)-1h-pyrazol-4-yl]-n-ethyl-3-[(3,3,3-trifluoropropyl)thio]propionamide

    2.4 Create Date
    2015-02-02
    3 Chemical and Physical Properties
    Molecular Weight 406.9 g/mol
    Molecular Formula C16H18ClF3N4OS
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass406.0841946 g/mol
    Monoisotopic Mass406.0841946 g/mol
    Topological Polar Surface Area76.3 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity458
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1