CAS 129488-10-4

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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

CAS 129488-10-4

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 Formula	C₁₂H₁₅N₃O₂
Molecular Weight	233.27 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	70.1
Heavy Atom Count	17
Formal Charge	0
Complexity	301
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1