CAS 139756-01-7

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Also known as: 139756-01-7, 1-methyl-4-nitro-3-propylpyrazole-5-carboxamide, 1-methyl-4-nitro-3-propyl-(1h)-pyrazole-5-carboxamide, Sildenafil amide, 2-methyl-4-nitro-5-propylpyrazole-3-carboxamide, 1h-pyrazole-5-carboxamide, 1-methyl-4-nitro-3-propyl-

Molecular Formula

C₈H₁₂N₄O₃

Molecular Weight

212.21 g/mol

InChI Key

BMLPAJIEDKJHSB-UHFFFAOYSA-N

FDA UNII

7Y5R094CF5

1 2D Structure

CAS 139756-01-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C8H12N4O3/c1-3-4-5-6(12(14)15)7(8(9)13)11(2)10-5/h3-4H2,1-2H3,(H2,9,13)

2.1.3 InChI Key

BMLPAJIEDKJHSB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)N)C

2.2 Other Identifiers

2.2.1 UNII

7Y5R094CF5

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 139756-01-7

2. 1-methyl-4-nitro-3-propylpyrazole-5-carboxamide

3. 1-methyl-4-nitro-3-propyl-(1h)-pyrazole-5-carboxamide

4. Sildenafil Amide

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

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

7. Sildenafil Amide Impurity

8. 7y5r094cf5

9. Unii-7y5r094cf5

10. D-luciferin-6-o-acetate

11. Ec 423-960-6

12. Schembl1452

13. Oprea1_245915

14. Mls000723804

15. Chembl1509194

16. Dtxsid80373027

17. Hms2639a10

18. Hms3360c19

19. Zinc168939

20. Amy11140

21. Bcp33919

22. Mfcd02253196

23. Akos001617339

24. Ccg-107604

25. Ac-27029

26. As-69315

27. Smr000305399

28. Db-063317

29. Cs-0061477

30. Ft-0671927

31. M2773

32. 1-methyl-4-nitro3-propylpyrazole-5-carboxamide

33. 5-carbamoyl-1-methyl-4-nitro-3-propylpyrazole

34. W17014

35. 2-methyl-4-nitro-5-propyl-3-pyrazolecarboxamide

36. 1-methyl4-nitro-3-n-propylpyrazole-5-carboxamide

37. 2-methyl-4-nitro-5-propyl-pyrazole-3-carboxamide

38. 756m017

39. A807584

40. Sr-01000448248

41. 1-methyl-4-nitro-3-n-propylpyrazole-5-carboxamide

42. J-803032

43. Sr-01000448248-1

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

45. 1-methyl-4-nitro-3-propyl-1h-5-pyrazole Carboxamide

46. 2-methyl-4-nitro-5-propyl-2h-pyrazole-3-carboxamide

47. Q27269012

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₂N₄O₃
Molecular Weight	212.21 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	212.09094026 g/mol
Monoisotopic Mass	212.09094026 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	265
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