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    Technical details about CAS 330792-70-6 , learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 330792-70-6 

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 330792-70-6, 3-amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, 3-amino-5-(4-phenoxyphenyl)-1h-pyrazole-4-carbonitrile, 1h-pyrazole-4-carbonitrile, 3-amino-5-(4-phenoxyphenyl)-, 3-amino-4-cyano-5-(4-phenoxyphenyl)pyrazole, Mfcd28137676
    Molecular Formula
    C16H12N4O
    Molecular Weight
    276.29  g/mol
    InChI Key
    HNIMEQCLCNSCGH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile
    2.1.2 InChI
    InChI=1S/C16H12N4O/c17-10-14-15(19-20-16(14)18)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,(H3,18,19,20)
    2.1.3 InChI Key
    HNIMEQCLCNSCGH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(C(=NN3)N)C#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 330792-70-6

    2. 3-amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile

    3. 3-amino-5-(4-phenoxyphenyl)-1h-pyrazole-4-carbonitrile

    4. 1h-pyrazole-4-carbonitrile, 3-amino-5-(4-phenoxyphenyl)-

    5. 3-amino-4-cyano-5-(4-phenoxyphenyl)pyrazole

    6. Mfcd28137676

    7. Schembl202119

    8. Schembl15472736

    9. Amy8943

    10. Dtxsid40625079

    11. Bcp11040

    12. Cs-m2596

    13. Zinc82049716

    14. Akos016003989

    15. Ac-28743

    16. Cs-13107

    17. Da-24246

    18. Sy033527

    19. Ft-0754454

    20. 3-amino-4-cyano-5-(4-phenoxypheny1)pyrazole

    21. S10997

    22. A855834

    23. Nitrilotriaceticacidtrisodiumsaltmonohydrate

    24. J-019007

    25. 3-amino-5-(4-phenoxyphenyl)-(1h)-pyrazole-4-carbonitrile

    26. 5-amino-3-(4-phenoxy Phenyl)-1h-pyrazole-4-carbonitrile

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 276.29 g/mol
    Molecular Formula C16H12N4O
    XLogP33.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass276.10111102 g/mol
    Monoisotopic Mass276.10111102 g/mol
    Topological Polar Surface Area87.7 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity379
    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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