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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

CAS 269410-08-4
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 Weight 194.04 g/mol
Molecular Formula C9H15BN2O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass194.1226579 g/mol
Monoisotopic Mass194.1226579 g/mol
Topological Polar Surface Area47.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity217
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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