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    CAS 269410-08-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 269410-08-4, Pyrazole-4-boronic acid pinacol ester, 4-pyrazoleboronic acid pinacol ester, 1h-pyrazole-4-boronic acid pinacol ester, Pyrazole-4-boronic acid, pinacol ester, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole
    Molecular Formula
    C9H15BN2O2
    Molecular Weight
    194.04  g/mol
    InChI Key
    TVOJIBGZFYMWDT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
    2.1.2 InChI
    InChI=1S/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3,(H,11,12)
    2.1.3 InChI Key
    TVOJIBGZFYMWDT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=CNN=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 269410-08-4

    2. Pyrazole-4-boronic Acid Pinacol Ester

    3. 4-pyrazoleboronic Acid Pinacol Ester

    4. 1h-pyrazole-4-boronic Acid Pinacol Ester

    5. Pyrazole-4-boronic Acid, Pinacol Ester

    6. 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

    7. Mfcd03453063

    8. 4,4,5,5-tetramethyl-2-(1h-pyrazol-4-yl)-1,3,2-dioxaborolane

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

    10. (1h-pyrazol-4-yl)boronic Acid Pinacol Ester

    11. 1h-pyrazole-4-boronic Acid, Pinacol Ester

    12. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

    13. Schembl98961

    14. Amba00040

    15. Dtxsid40378836

    16. Act01775

    17. Bcp02712

    18. Cs-d1164

    19. Bbl101319

    20. Stl555115

    21. 4-pyrazole Boronic Acid Pinacol Ester

    22. 4-pyrazolyl Boronic Acid Pinacol Ester

    23. Akos005258370

    24. Zinc169743350

    25. Ab15498

    26. As-2979

    27. Sb11372

    28. Ac-22285

    29. Bp-12124

    30. Sy004218

    31. 4-pyrazoleboronic Acid Pinacol Ester, 97%

    32. Db-008348

    33. Am20090332

    34. Ft-0644221

    35. T2756

    36. A22310

    37. A818724

    38. J-016620

    39. J-513432

    40. 2-(4-pyrazolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

    41. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)1h-pyrazole

    42. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan2-yl)-1h-pyrazole

    43. 4,4,5,5-tetramethyl-2-(1h-pyrazol-4-yl)[1,3,2]dioxaborolane

    44. 4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

    45. 4-(4,4,5,5-tetramethyl 1,3,2-dioxaborolan-2-yl)-1h-pyrazole

    46. 4-(4,4,5,5-tetramethyl-[1,3,2]dioxa-borolan-2-yl)-1h-pyrazole

    47. 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1h-pyrazole

    48. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) 1h-pyrazole

    49. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-h-pyrazole

    50. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1h-pyrazole

    51. 4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-1h-pyrazole

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 194.04 g/mol
    Molecular Formula C9H15BN2O2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass194.1226579 g/mol
    Monoisotopic Mass194.1226579 g/mol
    Topological Polar Surface Area47.1 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity217
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1