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Also known as: 877399-50-3, 1-boc-4-(4-bromopyrazol-1-yl)piperidine, 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester, 1-(4-boc-piperidino)-4-bromopyrazole, 4-(4-bromo-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester, Tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate
Molecular Formula
C13H20BrN3O2
Molecular Weight
330.22  g/mol
InChI Key
IYNZAVDBHAQODX-UHFFFAOYSA-N

CAS 877399-50-3
1 2D Structure

CAS 877399-50-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate
2.1.2 InChI
InChI=1S/C13H20BrN3O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7H2,1-3H3
2.1.3 InChI Key
IYNZAVDBHAQODX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(C=N2)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 877399-50-3

2. 1-boc-4-(4-bromopyrazol-1-yl)piperidine

3. 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic Acid Tert-butyl Ester

4. 1-(4-boc-piperidino)-4-bromopyrazole

5. 4-(4-bromo-pyrazol-1-yl)-piperidine-1-carboxylic Acid Tert-butyl Ester

6. Tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate

7. 1-boc-4-(4-bromo-1-pyrazolyl)piperidine

8. Mfcd09831980

9. Schembl1427617

10. Ampd00362

11. Dtxsid90670276

12. Bcp07105

13. Cs-m0354

14. Zinc38540571

15. Akos015935064

16. Ac-25089

17. Am804473

18. As-19241

19. Sy043288

20. Db-002076

21. B4391

22. Ft-0699134

23. Ethyleneglycolbis(4-carboxyphenyl)ether

24. 1-(4-boc-1-piperidinyl)-4-bromopyrazole, 98%

25. 272b895

26. A842357

27. N-boc-4-(4-bromopyrazol-1-yl)piperidine

28. 1-tert-butoxycarbonyl-4-(4-bromopyrazol-1-yl)piperidine

29. Tert-butyl4-(4-bromo-1h-pyrazol-1-yl)piperidine-1-carboxylate

30. 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic Acid Tert-butylester

31. Tert-butyl 1-(4-bromo-1h-pyrazol-1-yl)piperidine-4-carboxylate

32. 4-(4-bromo-1h-pyrazole-1-yl)piperidine-1-carboxylic Acid Tert-butyl Ester

33. Tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate, Aldrichcpr

34. 1-piperidinecarboxylicacid,4-(4-bromo-1h-pyrazol-1-yl)-,1,1-dimethylethylester

2.3 Create Date
2010-06-03
3 Chemical and Physical Properties
Molecular Weight 330.22 g/mol
Molecular Formula C13H20BrN3O2
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass329.07389 g/mol
Monoisotopic Mass329.07389 g/mol
Topological Polar Surface Area47.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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