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    Fluxapyroxad

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 39,120Xls

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    2D Structure
    Also known as: 907204-31-3, Xemium, Fluxapyroxad [iso], 3-(difluoromethyl)-1-methyl-n-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide, 7u8p4nar2s, 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluorobiphenyl-2-yl)pyrazole-4-carboxamide
    Molecular Formula
    C18H12F5N3O
    Molecular Weight
    381.3  g/mol
    InChI Key
    SXSGXWCSHSVPGB-UHFFFAOYSA-N
    FDA UNII
    7U8P4NAR2S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
    2.1.2 InChI
    InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)
    2.1.3 InChI Key
    SXSGXWCSHSVPGB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F
    2.2 Other Identifiers
    2.2.1 UNII
    7U8P4NAR2S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluoro(1,1'-biphenyl)-2-yl)-1h-pyrazole-4-carboxamide

    2. Xemium

    2.3.2 Depositor-Supplied Synonyms

    1. 907204-31-3

    2. Xemium

    3. Fluxapyroxad [iso]

    4. 3-(difluoromethyl)-1-methyl-n-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide

    5. 7u8p4nar2s

    6. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluorobiphenyl-2-yl)pyrazole-4-carboxamide

    7. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluoro(1,1'-biphenyl)-2-yl)-1h-pyrazole-4-carboxamide

    8. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluoro-[1,1'-biphenyl]-2-yl)-1h-pyrazole-4-carboxamide

    9. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluorobiphenyl-2-yl)-1h-pyrazole-4-carboxamide; Xemium

    10. Unii-7u8p4nar2s

    11. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluoro[1,1'-biphenyl]-2-yl)-1h-pyrazole-4-carboxamide

    12. Schembl167627

    13. Dtxsid6058215

    14. Chebi:83113

    15. Ex-a1676

    16. Zinc35076028

    17. Ac-36586

    18. As-36599

    19. Fluxapyroxad 100 Microg/ml In Acetonitrile

    20. Hy-135549

    21. Cs-0113442

    22. Fluxapyroxad, Pestanal(r), Analytical Standard

    23. Q15632875

    24. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluorobiphenyl-2-yl)-1h-pyrazole-4-carboxamide

    25. N-(2-(3,4,5-trifluorophenyl)phenyl)-3-difluoromethyl-1-methylpyrazole-4-carboxamide

    26. N-(3',4',5'-trifluorobiphenyl-2-yl)-1-methyl-3-difluoromethyl-1h-pyrazole-4-carboxamide

    27. N-(3',4',5'-trifluorobiphenyl-2-yl)-3-difluoromethyl-1-methyl-1h-pyrazole-4-carboxamide

    28. 1h-pyrazole-4-carboxamide, 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluoro[1,1'-biphenyl]-2-yl)-

    29. 3-(difluoromethyl)-1-methyl-n-(3 Inverted Exclamation Marka,4 Inverted Exclamation Marka,5 Inverted Exclamation Marka-trifluorobiphenyl-2-yl)pyrazole-4-carboxamide

    2.4 Create Date
    2007-06-18
    3 Chemical and Physical Properties
    Molecular Weight 381.3 g/mol
    Molecular Formula C18H12F5N3O
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count4
    Exact Mass381.09005283 g/mol
    Monoisotopic Mass381.09005283 g/mol
    Topological Polar Surface Area46.9 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity513
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1