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    Technical details about Pyraclonil, learn more about the structure, uses, toxicity, action, side effects and more

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    Pyraclonil

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 158353-15-2, Pyraclonil [iso], 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-[methyl(prop-2-ynyl)amino]pyrazole-4-carbonitrile, 6g02ks1s2v, Pyraclonil 100 microg/ml in acetonitrile, 1h-pyrazole-4-carbonitrile, 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-(methyl-2-propyn-1-ylamino)-
    Molecular Formula
    C15H15ClN6
    Molecular Weight
    314.77  g/mol
    InChI Key
    IHHMUBRVTJMLQO-UHFFFAOYSA-N
    FDA UNII
    6G02KS1S2V
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-[methyl(prop-2-ynyl)amino]pyrazole-4-carbonitrile
    2.1.2 InChI
    InChI=1S/C15H15ClN6/c1-3-7-20(2)15-11(9-17)10-18-22(15)14-13(16)12-6-4-5-8-21(12)19-14/h1,10H,4-8H2,2H3
    2.1.3 InChI Key
    IHHMUBRVTJMLQO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(CC#C)C1=C(C=NN1C2=NN3CCCCC3=C2Cl)C#N
    2.2 Other Identifiers
    2.2.1 UNII
    6G02KS1S2V
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 158353-15-2

    2. Pyraclonil [iso]

    3. 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-[methyl(prop-2-ynyl)amino]pyrazole-4-carbonitrile

    4. 6g02ks1s2v

    5. Pyraclonil 100 Microg/ml In Acetonitrile

    6. 1h-pyrazole-4-carbonitrile, 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-(methyl-2-propyn-1-ylamino)-

    7. Unii-6g02ks1s2v

    8. 1-(3-chloro-4,5,6,7-tetrahydropyrazolo(1,5-a)pyridin-2-yl)-5-(methyl(prop-2-ynyl)amino)pyrazole-4-carbonitrile

    9. Schembl39143

    10. Dtxsid3057989

    11. Chebi:81866

    12. Amy7524

    13. Ex-a925

    14. Bcp19113

    15. Mfcd11112213

    16. Zinc35822518

    17. Cs-3317

    18. As-35197

    19. Hy-17531

    20. Db-049794

    21. B8028

    22. Ft-0759346

    23. Pyraclonil, Pestanal(r), Analytical Standard

    24. C18613

    25. Q27155632

    26. 1-(3-chloro-4,5,6,7-tetrahydropyrazolo(1,5-a)pyridin-2-yl)-5-(methyl-2-propynylamino)-1h-pyrazole-4-carbonitrile

    27. 1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-(methyl-2-propyn-1-ylamino)-1h-pyrazole-4-carbonitrile

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 314.77 g/mol
    Molecular Formula C15H15ClN6
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass314.1046722 g/mol
    Monoisotopic Mass314.1046722 g/mol
    Topological Polar Surface Area62.7 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity507
    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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