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    Pirazolac

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 71002-09-0, Zk-76604, Zk 76 604, Fwy2578lp5, 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetic acid, Zk-76 604
    Molecular Formula
    C17H12ClFN2O2
    Molecular Weight
    330.7  g/mol
    InChI Key
    YAMFWQIVVMITPG-UHFFFAOYSA-N
    FDA UNII
    FWY2578LP5
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetic acid
    2.1.2 InChI
    InChI=1S/C17H12ClFN2O2/c18-12-3-1-11(2-4-12)15-10-21(20-16(15)9-17(22)23)14-7-5-13(19)6-8-14/h1-8,10H,9H2,(H,22,23)
    2.1.3 InChI Key
    YAMFWQIVVMITPG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C2=CN(N=C2CC(=O)O)C3=CC=C(C=C3)F)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    FWY2578LP5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-acetic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 71002-09-0

    2. Zk-76604

    3. Zk 76 604

    4. Fwy2578lp5

    5. 2-[4-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]acetic Acid

    6. Zk-76 604

    7. Pirazolaco

    8. Pirazolacum

    9. Pirazolacum [inn-latin]

    10. Pirazolaco [inn-spanish]

    11. Unii-fwy2578lp5

    12. Pirazolac [usan:inn:ban]

    13. Einecs 275-102-3

    14. Pirazolac [inn]

    15. Pirazolac [mi]

    16. Pirazolac (usan/inn)

    17. Pirazolac [usan]

    18. Pirazolac [mart.]

    19. Schembl153631

    20. Chembl249446

    21. Dtxsid00221233

    22. 4-(p-chlorophenyl)-1-(p-fluorophenyl)pyrazole-3-acetic Acid

    23. Zk 76604

    24. Hy-100146

    25. Cs-0018134

    26. D05493

    27. Q27278246

    28. 1h-pyrazole-3-acetic Acid, 4-(4-chlorophenyl)-1-(4-fluorophenyl)-

    29. [1-(4-fluorophenyl)-4-(4-chlorophenyl)-1h-pyrazol-3-yl]-acetic Acid

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 330.7 g/mol
    Molecular Formula C17H12ClFN2O2
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass330.0571335 g/mol
    Monoisotopic Mass330.0571335 g/mol
    Topological Polar Surface Area55.1 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity409
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1