CAS 877399-50-3

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13 Related Intermediates

Chemistry

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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

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 Formula	C₁₃H₂₀BrN₃O₂
Molecular Weight	330.22 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	329.07389 g/mol
Monoisotopic Mass	329.07389 g/mol
Topological Polar Surface Area	47.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	324
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