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    CAS 139756-01-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 212.21 g/mol
    Molecular Formula C8H12N4O3
    XLogP30.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass212.09094026 g/mol
    Monoisotopic Mass212.09094026 g/mol
    Topological Polar Surface Area107 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity265
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1