CAS 139756-02-8

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3 End Use APIs
11 Related Intermediates

Chemistry

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Also known as: 139756-02-8, 4-amino-1-methyl-3-n-propyl-1h-pyrazole-5-carboxamide, 4-amino-2-methyl-5-propylpyrazole-3-carboxamide, 4-amino-1-methyl-3-n-propyl-5-pyrazolecarboxamide, 19756-62-8, 1h-pyrazole-5-carboxamide, 4-amino-1-methyl-3-propyl-

Molecular Formula

C₈H₁₄N₄O

Molecular Weight

182.22 g/mol

InChI Key

PZMXDLWWQHYXGY-UHFFFAOYSA-N

1 2D Structure

CAS 139756-02-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-2-methyl-5-propylpyrazole-3-carboxamide

2.1.2 InChI

InChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)12(2)11-5/h3-4,9H2,1-2H3,(H2,10,13)

2.1.3 InChI Key

PZMXDLWWQHYXGY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC1=NN(C(=C1N)C(=O)N)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 139756-02-8

2. 4-amino-1-methyl-3-n-propyl-1h-pyrazole-5-carboxamide

3. 4-amino-2-methyl-5-propylpyrazole-3-carboxamide

4. 4-amino-1-methyl-3-n-propyl-5-pyrazolecarboxamide

5. 19756-62-8

6. 1h-pyrazole-5-carboxamide, 4-amino-1-methyl-3-propyl-

7. 4-amino-1-methyl-3-propylpyrazole-5-carboxamide

8. 4-amino-1-methyl-3-propylpyrazole-5-formylamine

9. 4-amino-1-methyl-3-n-propylpyrazole-5-carboxamide

10. Mfcd02927682

11. 1h-pyrazole-5-carboxamide,4-amino-1-methyl-3-n-propyl

12. 3-n-propyl-4-amino-5-carboxamido-n-methylpyrazole

13. 4-amino-1-methyl-3-propyl-5-pyrazolecarboxamide

14. 4-amino-2-methyl-5-propyl-2h-pyrazole-3-carboxylic Acid Amide

15. Schembl617

16. Oprea1_583437

17. 4-amino-2-methyl-5-propyl-2h-pyrazole-3-carboxamide

18. Chebi:59006

19. Dtxsid10391592

20. Zinc168940

21. Act01783

22. Albb-021290

23. Bcp30481

24. Stl452915

25. Akos007930274

26. Cs-w017101

27. Ac-27030

28. Sy017665

29. Ts-00215

30. Db-012141

31. Am20080298

32. Ft-0617433

33. Ft-0694696

34. 1-methyl-3-propyl-4-aminopyrazole-5-carboxaimde

35. 1-methyl-3-propyl-4-aminopyrazole-5-carboxamide

36. 4-amino-3-propyl-1-methyl-5-pyrazolecarboxamide

37. 4-amino-1-methyl-3-propyl-pyrazole-5-carboxamide

38. 756a028

39. Sr-01000448249

40. 4-amino-1-methyl-3-propyl-1h-5-pyrazolecarboxamide

41. J-007313

42. Q-200426

43. Sr-01000448249-1

44. 1-methyl-3-propyl-4-amino-1h-pyrazole-5-carboxamide

45. 1-methyl-3-propyl4-amino-5-aminocarbonyl-1h-pyrazole

46. 4-amino-1-methyl-3-propyl-1h-5-pyrazole Carboxamide

47. Q27126394

48. 1-methyl-3-propyl-4-amino-5-aminocarbonyl-1h-pyrazole

49. 4-amino-1-methyl-3-n-propyl-5-pyrazolecarboxamide, 96%

50. 4-amino-1-methyl-3-n-propyl-1h-pyrazole-5-carboxamide Hcl

51. 4-amino-2-methyl-3-n-propyl-2h-pyrazole-3-carboxylic Acid Amide

52. 4-amino-1-methyl-3-propyl-1h-pyrazole-5-carboxamide;4-amino-1-methyl-3-n-propyl-5-pyrazolecarboxamide

53. Viagra Intermediate;1h-pyrazole-5-carboxamide,4-am;sildenafil Amino Amide Impurity;4-amino-1-methyl-3-n-propyl-5-pyrazoleca;4-amino-1-methyl-3-propyl-5-pyrazolecarboxam;4-amino-1-methyl-3-n-propyprzol

2.3 Create Date

2005-09-07

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₄N₄O
Molecular Weight	182.22 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	182.11676108 g/mol
Monoisotopic Mass	182.11676108 g/mol
Topological Polar Surface Area	86.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	197
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