CAS 31230-17-8

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3 End Use APIs
14 Related Intermediates

Chemistry

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Also known as: 3-amino-5-methylpyrazole, 31230-17-8, 3-methyl-1h-pyrazol-5-amine, 1h-pyrazol-3-amine, 5-methyl-, 5-amino-3-methylpyrazole, 3-amino-5-methyl-1h-pyrazole

Molecular Formula

C₄H₇N₃

Molecular Weight

97.12 g/mol

InChI Key

FYTLHYRDGXRYEY-UHFFFAOYSA-N

FDA UNII

7M23CZ0CSD

1 2D Structure

CAS 31230-17-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methyl-1H-pyrazol-3-amine

2.1.2 InChI

InChI=1S/C4H7N3/c1-3-2-4(5)7-6-3/h2H,1H3,(H3,5,6,7)

2.1.3 InChI Key

FYTLHYRDGXRYEY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=NN1)N

2.2 Other Identifiers

2.2.1 UNII

7M23CZ0CSD

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-amino-5-methyl Pyrazole

2.3.2 Depositor-Supplied Synonyms

1. 3-amino-5-methylpyrazole

2. 31230-17-8

3. 3-methyl-1h-pyrazol-5-amine

4. 1h-pyrazol-3-amine, 5-methyl-

5. 5-amino-3-methylpyrazole

6. 3-amino-5-methyl-1h-pyrazole

7. 5-methyl-2h-pyrazol-3-ylamine

8. 5-methyl-1h-pyrazole-3-amine

9. 7m23cz0csd

10. 268724-49-8

11. 5-methylpyrazol-3-amine

12. Mfcd00075180

13. Fytlhyrdgxryey-uhfffaoysa-

14. 5-methyl-2h-pyrazol-3-yl Amine

15. 3-amino-5-methylpyrazol

16. 3-methylpyrazol-5-amine

17. 5-methyl-3-pyrazolamine

18. 3-methyl-5-aminopyrazole

19. 3-amino-5-methyl-pyrazol

20. Unii-7m23cz0csd

21. 3-amino-5-methyl Pyrazole

22. 3-amino-5-methyl-pyrazole

23. 5-methyl 3-amino Pyrazole

24. 5-methyl-3-amino Pyrazole

25. 3-methyl-5-amino-1h-pyrazol

26. 3-amino-5-methyl-2h-pyrazole

27. 3-methyl-1 H-pyrazol-5-amine

28. 5-methyl-1h-pyrazol-3-ylamine

29. Dtxsid9073466

30. 5-methyl-2h-pyrazole-3-ylamine

31. 5-methyl-3-aminopyrazole

32. 3-amino-5-methylpyrazole, 97%

33. 5-methyl-1h-pyrazol-3-yl Amine

34. Chebi:189303

35. (5-methyl-1h-pyrazol-3-yl)amine

36. 1h-pyrazole, 3-amino-5-methyl-

37. 5- Methyl-1h-pyrazol-3-yl Amine

38. Albb-008648

39. Bcp27218

40. Cs-d0822

41. Str01049

42. Zinc3886974

43. 3(5)-amino-5(3)-methyl-pyrazole

44. Bbl010620

45. Mfcd00051640

46. Sc1107

47. Stk028326

48. Stl191110

49. Akos000111664

50. Akos000305909

51. Akos016356338

52. Pb33812

53. Ps-9338

54. Ac-27837

55. Am803678

56. Sy003009

57. 3(5)-amino-5(3)-methylpyrazole

58. 3-methyl-1h-pyrazol-5-amine, Aldrichcpr

59. 5-methyl-1,2-dihydro-3h-pyrazol-3-imine

60. Db-032392

61. Bb 0241908

62. Bb 0256591

63. Ft-0601902

64. Ft-0615011

65. Ft-0764732

66. En300-07518

67. A894386

68. J-018283

69. J-517728

70. Z55423088

71. F0001-0941

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₄H₇N₃
Molecular Weight	97.12 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	97.063997236 g/mol
Monoisotopic Mass	97.063997236 g/mol
Topological Polar Surface Area	54.7 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	64
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