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    5-Amino-1H-indazole-1-carboxylic acid, 1,1 dimethyl ethyl ester

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 129488-10-4, 1-boc-5-amino-indazole, 1-boc-5-amino-1h-indazole, 1-boc-5-aminoindazole, Tert-butyl 5-aminoindazole-1-carboxylate, 5-amino-indazole-1-carboxylic acid tert-butyl ester
    Molecular Formula
    C12H15N3O2
    Molecular Weight
    233.27  g/mol
    InChI Key
    LRSDPIIWOZRHNJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 5-aminoindazole-1-carboxylate
    2.1.2 InChI
    InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14-15/h4-7H,13H2,1-3H3
    2.1.3 InChI Key
    LRSDPIIWOZRHNJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)N)C=N1
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 129488-10-4

    2. 1-boc-5-amino-indazole

    3. 1-boc-5-amino-1h-indazole

    4. 1-boc-5-aminoindazole

    5. Tert-butyl 5-aminoindazole-1-carboxylate

    6. 5-amino-indazole-1-carboxylic Acid Tert-butyl Ester

    7. 1h-indazole-1-carboxylic Acid, 5-amino-, 1,1-dimethylethyl Ester

    8. Mfcd04114656

    9. 5-aminoindazole-1-carboxylic Acid Tert-butyl Ester

    10. N-(1)-boc-5-amino-indazole

    11. 5-amino-1h-indazole-1-carboxylic Acid, 1,1 Dimethyl Ethyl Ester

    12. 5-amino-n-boc-1h-indazole

    13. N-(1)-boc-5-aminoindazole

    14. Schembl625971

    15. Amy9121

    16. Dtxsid70600071

    17. Lrsdpiiwozrhnj-uhfffaoysa-n

    18. Cs-b0719

    19. Ab3294

    20. Ac-053

    21. Akos005255721

    22. Pb32369

    23. Ps-4770

    24. Sy004147

    25. 5-amino-n-tert-butoxycarbonyl-1h-indazole

    26. Tert-butyl 5-amino-indazole-1-carboxylate

    27. Db-011628

    28. Tert-butyl5-amino-1h-indazole-1-carboxylate

    29. 5-amino-indazole-1-carboxylic Acid T-butyl Ester

    30. W-205315

    31. Synonyms5-amino-indazole-1-carboxylic Acid Tert-butyl Ester

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 233.27 g/mol
    Molecular Formula C12H15N3O2
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area70.1
    Heavy Atom Count17
    Formal Charge0
    Complexity301
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1