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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

CAS 139756-02-8
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 Weight 182.22 g/mol
Molecular Formula C8H14N4O
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass182.11676108 g/mol
Monoisotopic Mass182.11676108 g/mol
Topological Polar Surface Area86.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity197
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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