CAS 16617-46-2

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Also known as: 16617-46-2, 5-amino-1h-pyrazole-4-carbonitrile, 3-amino-1h-pyrazole-4-carbonitrile, 3-amino-4-cyanopyrazole, 1204396-41-7, 3-aminopyrazole-4-carbonitrile

Molecular Formula

C₄H₄N₄

Molecular Weight

108.10 g/mol

InChI Key

FFNKBQRKZRMYCL-UHFFFAOYSA-N

FDA UNII

OOB953S9X2

1 2D Structure

CAS 16617-46-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-amino-1H-pyrazole-4-carbonitrile

2.1.2 InChI

InChI=1S/C4H4N4/c5-1-3-2-7-8-4(3)6/h2H,(H3,6,7,8)

2.1.3 InChI Key

FFNKBQRKZRMYCL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=NNC(=C1C#N)N

2.2 Other Identifiers

2.2.1 UNII

OOB953S9X2

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5-amino-4-cyanopyrazole

2.3.2 Depositor-Supplied Synonyms

1. 16617-46-2

2. 5-amino-1h-pyrazole-4-carbonitrile

3. 3-amino-1h-pyrazole-4-carbonitrile

4. 3-amino-4-cyanopyrazole

5. 1204396-41-7

6. 3-aminopyrazole-4-carbonitrile

7. 5-amino-4-cyanopyrazole

8. 1h-pyrazole-4-carbonitrile, 3-amino-

9. 5-aminopyrazole-4-carbonitrile

10. 3-amino-4-cyano-1h-pyrazole

11. 5-amino-4-pyrazolecarbonitrile

12. 4-cyano-5-aminopyrazole

13. 3-amino-4-cyano Pyrazole

14. Pyrazole-4-carbonitrile, 3-amino-

15. 3-amino-pyrazole-4-carbonitrile

16. 3-amino-2h-pyrazole-4-carbonitrile

17. Mfcd00005237

18. Nsc 44932

19. Oob953s9x2

20. Nsc-44932

21. 3-aminopyrazole-4-nitrile

22. Unii-oob953s9x2

23. 3-aminopyrazole-4-carbonitril

24. Nsc44932

25. 1h-pyrazole-3-amino-4-carbonitrile

26. Einecs 240-665-6

27. 3-amino-4cyanopyrazole

28. 1h-pyrazole-4-carbonitrile,3-amino-

29. 3-amino-4-cyano-pyrazole

30. 3-amino-4-cyano-1h-pyrazol

31. Schembl174458

32. 5-amino-4-cyano-1h-pyrazole

33. 4-cyano-2h-pyrazol-3-ylamine

34. 3-amino-4-pyrazole Carbonitrile

35. 4-cyano-3-aminopyrazole

36. Dtxsid9066091

37. Act07896

38. Albb-020135

39. Bcp32228

40. Str01102

41. Bbl012129

42. Mfcd00067703

43. Sc2261

44. Stk347617

45. Zinc18217608

46. 3-a Mino-1h-pyrazole-4-carbonitrile

47. 3-aminopyrazole-4-carbonitrile, 97%

48. 3-fluoro Methamphetamine Hydrochloride

49. Akos000260139

50. Akos000305911

51. 1h-pyrazole-4-carbonitrile, 5-amino-

52. Ac-1230

53. Cs-w001964

54. Pb48912

55. Wt82361

56. Cyanopyrazolamine [usp Impurity]

57. Bp-12602

58. Sy001600

59. Db-022228

60. Am20080471

61. Ft-0614906

62. Ft-0658250

63. En300-13228

64. 17a462

65. 617a462

66. A892201

67. Q-100199

68. Q27285758

69. 4-amino-4-cyanopyrazole;3-amino-1h-pyrazole-4-carbonitrile

70. Zaleplon Impurity, Cyanopyrazolamine-[usp Impurity]

71. 8-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane

72. 5-aminopyrazole-4-carbonitrile; 5-amino-4-cyanopyrazole; 3-aminopyarazole-4-carbonitrile;3-amino-1h-pyrazole-4-carbonitrile

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₄N₄
Molecular Weight	108.10 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	108.043596145 g/mol
Monoisotopic Mass	108.043596145 g/mol
Topological Polar Surface Area	78.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	123
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