CAS 269410-08-4

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1 End Use APIs
20 Related Intermediates

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Also known as: 269410-08-4, Pyrazole-4-boronic acid pinacol ester, 4-pyrazoleboronic acid pinacol ester, 1h-pyrazole-4-boronic acid pinacol ester, Pyrazole-4-boronic acid, pinacol ester, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

Molecular Formula

C₉H₁₅BN₂O₂

Molecular Weight

194.04 g/mol

InChI Key

TVOJIBGZFYMWDT-UHFFFAOYSA-N

1 2D Structure

CAS 269410-08-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

2.1.2 InChI

InChI=1S/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3,(H,11,12)

2.1.3 InChI Key

TVOJIBGZFYMWDT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CNN=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 269410-08-4

2. Pyrazole-4-boronic Acid Pinacol Ester

3. 4-pyrazoleboronic Acid Pinacol Ester

4. 1h-pyrazole-4-boronic Acid Pinacol Ester

5. Pyrazole-4-boronic Acid, Pinacol Ester

6. 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

7. Mfcd03453063

8. 4,4,5,5-tetramethyl-2-(1h-pyrazol-4-yl)-1,3,2-dioxaborolane

9. 1h-pyrazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

10. (1h-pyrazol-4-yl)boronic Acid Pinacol Ester

11. 1h-pyrazole-4-boronic Acid, Pinacol Ester

12. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

13. Schembl98961

14. Amba00040

15. Dtxsid40378836

16. Act01775

17. Bcp02712

18. Cs-d1164

19. Bbl101319

20. Stl555115

21. 4-pyrazole Boronic Acid Pinacol Ester

22. 4-pyrazolyl Boronic Acid Pinacol Ester

23. Akos005258370

24. Zinc169743350

25. Ab15498

26. As-2979

27. Sb11372

28. Ac-22285

29. Bp-12124

30. Sy004218

31. 4-pyrazoleboronic Acid Pinacol Ester, 97%

32. Db-008348

33. Am20090332

34. Ft-0644221

35. T2756

36. A22310

37. A818724

38. J-016620

39. J-513432

40. 2-(4-pyrazolyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

41. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)1h-pyrazole

42. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan2-yl)-1h-pyrazole

43. 4,4,5,5-tetramethyl-2-(1h-pyrazol-4-yl)[1,3,2]dioxaborolane

44. 4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

45. 4-(4,4,5,5-tetramethyl 1,3,2-dioxaborolan-2-yl)-1h-pyrazole

46. 4-(4,4,5,5-tetramethyl-[1,3,2]dioxa-borolan-2-yl)-1h-pyrazole

47. 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1h-pyrazole

48. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) 1h-pyrazole

49. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-h-pyrazole

50. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1h-pyrazole

51. 4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-1h-pyrazole

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₅BN₂O₂
Molecular Weight	194.04 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	194.1226579 g/mol
Monoisotopic Mass	194.1226579 g/mol
Topological Polar Surface Area	47.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	217
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