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    CAS 877399-74-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 877399-74-1, Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]piperidine-1-carboxylate, 1-(1-boc-4-piperidyl)pyrazole-4-boronic acid pinacol ester, Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate, 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic acid tert-butyl ester, 1-(1-boc-piperidin-4-yl)-pyrazole-4-boronic acid pinacol ester
    Molecular Formula
    C19H32BN3O4
    Molecular Weight
    377.3  g/mol
    InChI Key
    QSQWENQPOSRWLP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C19H32BN3O4/c1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20/h12-13,15H,8-11H2,1-7H3
    2.1.3 InChI Key
    QSQWENQPOSRWLP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCN(CC3)C(=O)OC(C)(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 877399-74-1

    2. Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]piperidine-1-carboxylate

    3. 1-(1-boc-4-piperidyl)pyrazole-4-boronic Acid Pinacol Ester

    4. Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate

    5. 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic Acid Tert-butyl Ester

    6. 1-(1-boc-piperidin-4-yl)-pyrazole-4-boronic Acid Pinacol Ester

    7. Mfcd11112131

    8. Tert-butyl 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]piperidine-1-carboxylate

    9. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylic Acid Tert-butyl Ester

    10. Tert-butyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]piperidine-1-carboxylate

    11. Tert-butyl4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]piperidine-1-carboxylate

    12. 1-(1-boc-piperidin-4-yl)pyrazole-4-boronic Acid Pinacol Ester

    13. (1-(1-(tert-butoxycarbonyl)piperidin-4-yl)-1h-pyrazol-4-yl)boronic Acid Pinacol Ester

    14. 2-[1-(1-boc-piperidin-4-yl)pyrazol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

    15. Schembl320828

    16. Dtxsid901007779

    17. Bcp01622

    18. Cs-m0268

    19. Akos015841290

    20. Zinc169745628

    21. Gs-5869

    22. Pb31552

    23. Ac-25087

    24. Am807999

    25. Sy028027

    26. Db-002095

    27. B5002

    28. Ft-0699135

    29. 896t224

    30. A848261

    31. A854190

    32. 1-(n-boc-piperidin-4-yl)-1h-pyrazole-4-boronic Acid Pinacol Ester

    33. 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl)piperidine-1-carb

    34. 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidin-1-carboxylic Acid Tert-butyl Ester

    35. 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidin-1-carboxylic Acid Tert.butyl Ester

    36. 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic Acid Tert.butyl Ester

    37. 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylic Acid Tert-butyl Ester

    38. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]-1-piperidinecarboxylic Acid 1,1-dimethylethyl Ester;

    39. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]-1-piperidinecarboxylic Acid 1,1-dimethylethyl Ester;;1-(1-boc-4-piperidyl)pyrazole-4-boronic Acid Pinacol Ester

    40. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic Acid Tert-butyl Ester

    41. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrazol-1-yl]piperidine-1-carboxylic Acid Tert-butyl Ester

    42. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]-piperidine-1-carboxylic Acid Tert-butyl Ester

    43. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1h-pyrazole-1-yl]piperidine-1-carboxylic Acid Tert-butyl Ester

    44. 4-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-1h-pyrazol-1-yl]-piperidine-1-carboxylic Acid Tert-butylester

    45. T-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)piperidine-1-carboxylate

    46. Tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)piperidin-1-carboxylate

    47. Tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1h-pyrazol-1-yl)piperidine-1-carboxylate

    48. Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylate

    49. Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]-piperidine-1-carboxylate

    2.3 Create Date
    2010-06-03
    3 Chemical and Physical Properties
    Molecular Weight 377.3 g/mol
    Molecular Formula C19H32BN3O4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass377.2485867 g/mol
    Monoisotopic Mass377.2485867 g/mol
    Topological Polar Surface Area65.8 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity540
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1