CAS 877399-74-1

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Also known as: 877399-74-1, Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]piperidine-1-carboxylate, 1-(1-boc-4-piperidyl)pyrazole-4-boronic acid pinacol ester, Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate, 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic acid tert-butyl ester, 1-(1-boc-piperidin-4-yl)-pyrazole-4-boronic acid pinacol ester

Molecular Formula

C₁₉H₃₂BN₃O₄

Molecular Weight

377.3 g/mol

InChI Key

QSQWENQPOSRWLP-UHFFFAOYSA-N

1 2D Structure

CAS 877399-74-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C19H32BN3O4/c1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20/h12-13,15H,8-11H2,1-7H3

2.1.3 InChI Key

QSQWENQPOSRWLP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCN(CC3)C(=O)OC(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 877399-74-1

2. Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]piperidine-1-carboxylate

3. 1-(1-boc-4-piperidyl)pyrazole-4-boronic Acid Pinacol Ester

4. Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate

5. 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic Acid Tert-butyl Ester

6. 1-(1-boc-piperidin-4-yl)-pyrazole-4-boronic Acid Pinacol Ester

7. Mfcd11112131

8. Tert-butyl 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]piperidine-1-carboxylate

9. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylic Acid Tert-butyl Ester

10. Tert-butyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]piperidine-1-carboxylate

11. Tert-butyl4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]piperidine-1-carboxylate

12. 1-(1-boc-piperidin-4-yl)pyrazole-4-boronic Acid Pinacol Ester

13. (1-(1-(tert-butoxycarbonyl)piperidin-4-yl)-1h-pyrazol-4-yl)boronic Acid Pinacol Ester

14. 2-[1-(1-boc-piperidin-4-yl)pyrazol-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

15. Schembl320828

16. Dtxsid901007779

17. Bcp01622

18. Cs-m0268

19. Akos015841290

20. Zinc169745628

21. Gs-5869

22. Pb31552

23. Ac-25087

24. Am807999

25. Sy028027

26. Db-002095

27. B5002

28. Ft-0699135

29. 896t224

30. A848261

31. A854190

32. 1-(n-boc-piperidin-4-yl)-1h-pyrazole-4-boronic Acid Pinacol Ester

33. 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl)piperidine-1-carb

34. 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidin-1-carboxylic Acid Tert-butyl Ester

35. 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidin-1-carboxylic Acid Tert.butyl Ester

36. 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic Acid Tert.butyl Ester

37. 4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylic Acid Tert-butyl Ester

38. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]-1-piperidinecarboxylic Acid 1,1-dimethylethyl Ester;

39. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]-1-piperidinecarboxylic Acid 1,1-dimethylethyl Ester;;1-(1-boc-4-piperidyl)pyrazole-4-boronic Acid Pinacol Ester

40. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylic Acid Tert-butyl Ester

41. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrazol-1-yl]piperidine-1-carboxylic Acid Tert-butyl Ester

42. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]-piperidine-1-carboxylic Acid Tert-butyl Ester

43. 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1h-pyrazole-1-yl]piperidine-1-carboxylic Acid Tert-butyl Ester

44. 4-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-1h-pyrazol-1-yl]-piperidine-1-carboxylic Acid Tert-butylester

45. T-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)piperidine-1-carboxylate

46. Tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)piperidin-1-carboxylate

47. Tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1h-pyrazol-1-yl)piperidine-1-carboxylate

48. Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrazol-1-yl]-piperidine-1-carboxylate

49. Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]-piperidine-1-carboxylate

2.3 Create Date

2010-06-03

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₃₂BN₃O₄
Molecular Weight	377.3 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	377.2485867 g/mol
Monoisotopic Mass	377.2485867 g/mol
Topological Polar Surface Area	65.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	540
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