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    Unii-Q99G5ZE5U5

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Apx-115, 1395946-75-4, Ewha-18278, Unii-q99g5ze5u5, Q99g5ze5u5, 3-phenyl-4-propyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol hydrochloride
    Molecular Formula
    C17H18ClN3O
    Molecular Weight
    315.8  g/mol
    InChI Key
    YEEIHSUMLNXRMI-UHFFFAOYSA-N
    FDA UNII
    Q99G5ZE5U5
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C17H17N3O.ClH/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15;/h3-7,9-12,19H,2,8H2,1H3;1H
    2.1.3 InChI Key
    YEEIHSUMLNXRMI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCC1=C(NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    Q99G5ZE5U5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-phenyl-1-(pyridin-2-yl)-4-propyl-1h-5-hydroxypyrazole Hcl

    2. 3-phenyl-4-propyl-1-(2-pyridinyl)-1h-pyrazol-5-ol

    3. 3-phenyl-4-propyl-1-(2-pyridinyl)-1h-pyrazol-5-ol Hydrochloride

    4. Apx-115

    5. Apx-115 Free Base

    6. Ewha-18278

    7. Ewha-18278 Free Base

    8. Isuzinaxib

    2.3.2 Depositor-Supplied Synonyms

    1. Apx-115

    2. 1395946-75-4

    3. Ewha-18278

    4. Unii-q99g5ze5u5

    5. Q99g5ze5u5

    6. 3-phenyl-4-propyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol Hydrochloride

    7. 3-phenyl-4-propyl-1-(2-pyridinyl)-1h-pyrazol-5-ol Hydrochloride

    8. 5-phenyl-4-propyl-2-pyridin-2-yl-1h-pyrazol-3-one;hydrochloride

    9. 1-(pyridin-2-yl)-3-phenyl-4-propyl-1h-pyrazol-5-ol Hydrochloride

    10. 1h-pyrazol-5-ol, 3-phenyl-4-propyl-1-(2-pyridinyl)-, Hydrochloride (1:1)

    11. Apx115

    12. Apx-115 [who-dd]

    13. Chembl4650358

    14. Schembl15610231

    15. Ex-a4040a

    16. Vfc94675

    17. Hy-120801

    18. Cs-0079216

    2.4 Create Date
    2012-09-24
    3 Chemical and Physical Properties
    Molecular Weight 315.8 g/mol
    Molecular Formula C17H18ClN3O
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass315.1138399 g/mol
    Monoisotopic Mass315.1138399 g/mol
    Topological Polar Surface Area45.2 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity412
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2