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Overview of CAS 877399-50-3

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4CH-015674
PharmaCompass
4CH-015674
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, 4-(4-bromo-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester, 1-boc-4-(4-bromo-1-pyrazolyl)piperidine, Tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate
Molecular Formula
C13H20BrN3O2
Molecular Weight
330.226  g/mol
InChI Key
IYNZAVDBHAQODX-UHFFFAOYSA-N

1 2D Structure

4CH-015674

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

5. 1-boc-4-(4-bromo-1-pyrazolyl)piperidine

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

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

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

9. 3-(2-ethoxycarbonylacetyl)piperidine-1-carboxylic Acid Tert-butyl Ester

10. 1-piperidinecarboxylicacid, 4-(4-bromo-1h-pyrazol-1-yl)-, 1,1-dimethylethyl Ester

11. C13h20brn3o2

12. Ksc658s5d

13. Schembl1427617

14. Ampd00362

15. Ctk5f8951

16. Ks-00000nrd

17. Dtxsid90670276

18. Iynzavdbhaqodx-uhfffaoysa-n

19. Molport-006-727-880

20. Bcp07105

21. Cs-m0354

22. Ebd37376

23. Anw-44801

24. Mfcd09831980

25. Qc-248

26. Sbb054439

27. Zinc38540571

28. Akos015935064

29. Acn-025358

30. Cb-3446

31. Ac-25089

32. Aj-96451

33. Ak-32410

34. Am804473

35. An-26808

36. As-19241

37. Bc684585

38. Cj-19534

39. En000762

40. Sc-86376

41. Sy043288

42. Ab0032573

43. Db-002076

44. St2408670

45. Tc-010199

46. 1-boc-4-(4-bromopyrazol-1-yl);piperidine

47. 1-n-boc-4-(4-bromopyrazol-1-yl)piperidine

48. 4ch-015674

49. B4391

50. Ft-0699134

51. X5915

52. Mfcd09831980 (97%)

53. B-3962

54. 1-(4-boc-1-piperidinyl)-4-bromopyrazole, 98%

55. 272b895

56. A842357

57. 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic Aci

58. Tert-butyl 4-(4-bromopyrazolyl)piperidinecarboxylate

59. 1-tert-butoxycarbonyl-4-(4-bromopyrazol-1-yl)piperidine

60. Tert-butyl 4-(4-bromanylpyrazol-1-yl)piperidine-1-carboxylate

61. (r)-5-bromo-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-a

62. 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic Acid Tert-butylester

63. 4-(4-bromo-1-pyrazolyl)-1-piperidinecarboxylic Acid Tert-butyl Ester

64. 4-(4-bromo-1h-pyrazole-1-yl)piperidine-1-carboxylic Acid Tert-butyl Ester

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

66. 1-piperidinecarboxylicacid,4-(4-bromo-1h-pyrazol-1-yl)-,1,1-dimethylethylester

67. Tert-butyl 4-(4-bromo-1h-pyrazol-1-yl)piperidine-1-carbo Inverted Exclamation Markaylate

2.3 Create Date
2010-06-03
3 Chemical and Physical Properties
Molecular Weight 330.226 g/mol
Molecular Formula C13H20BrN3O2
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass329.074 g/mol
Monoisotopic Mass329.074 g/mol
Topological Polar Surface Area47.4 A^2
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
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