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    1282518-60-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1282518-60-8, 1-isopropyl-1h-pyrazole-5-boronic acid, pinacol ester, 1-isopropylpyrazole-5-boronic acid pinacol ester, 1-(propan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole, 1-isopropyl-1h-pyrazole-5-boronic acid pinacol ester, Mfcd17167306
    Molecular Formula
    C12H21BN2O2
    Molecular Weight
    236.12  g/mol
    InChI Key
    ZKZJXVGTTZXHGX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
    2.1.2 InChI
    InChI=1S/C12H21BN2O2/c1-9(2)15-10(7-8-14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3
    2.1.3 InChI Key
    ZKZJXVGTTZXHGX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1282518-60-8

    2. 1-isopropyl-1h-pyrazole-5-boronic Acid, Pinacol Ester

    3. 1-isopropylpyrazole-5-boronic Acid Pinacol Ester

    4. 1-(propan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

    5. 1-isopropyl-1h-pyrazole-5-boronic Acid Pinacol Ester

    6. Mfcd17167306

    7. 1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

    8. 1h-pyrazole, 1-(1-methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

    9. 1-(propan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

    10. Zkzjxvgttzxhgx-uhfffaoysa-n

    11. Schembl1485368

    12. Dtxsid30718343

    13. (1-isopropyl-1h-pyrazol-5-yl)boronic Acid Pinacol Ester

    14. Akos015960244

    15. Ab71707

    16. Am80903

    17. Cs-w003889

    18. Ds-0953

    19. Sy023897

    20. En300-1614234

    21. Z1741979942

    22. 1-(1-methylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

    23. 1-isopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

    2.3 Create Date
    2012-03-08
    3 Chemical and Physical Properties
    Molecular Weight 236.12 g/mol
    Molecular Formula C12H21BN2O2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area36.3
    Heavy Atom Count17
    Formal Charge0
    Complexity278
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1