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CAS 27511-79-1
Also known as: 27511-79-1, 1h-pyrazole-4-carboxamide, 3-amino-, sulfate (2:1), 3-amino-1h-pyrazole-4-carboxamide hemisulfate, 5-aminopyrazole-4-carboxamide hemisulphate, 3-amino-1h-pyrazole-4-carboxamide sulfate(2:1), 3-amino-4-pyrazolecarboxamide hemisulfate salt
Molecular Formula
C8H14N8O6S
Molecular Weight
350.32  g/mol
InChI Key
UMPKASYMNORSRO-UHFFFAOYSA-N
FDA UNII
6H5TH7QBY8

1 2D Structure

CAS 27511-79-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-amino-1H-pyrazole-4-carboxamide;sulfuric acid
2.1.2 InChI
InChI=1S/2C4H6N4O.H2O4S/c2*5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h2*1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)
2.1.3 InChI Key
UMPKASYMNORSRO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=NNC(=C1C(=O)N)N.C1=NNC(=C1C(=O)N)N.OS(=O)(=O)O
2.2 Other Identifiers
2.2.1 UNII
6H5TH7QBY8
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 27511-79-1

2. 1h-pyrazole-4-carboxamide, 3-amino-, Sulfate (2:1)

3. 3-amino-1h-pyrazole-4-carboxamide Hemisulfate

4. 5-aminopyrazole-4-carboxamide Hemisulphate

5. 3-amino-1h-pyrazole-4-carboxamide Sulfate(2:1)

6. 3-amino-4-pyrazolecarboxamide Hemisulfate Salt

7. 3-aminopyrazole-4-carboxamide Hemisulfate

8. 3-amino-4-carbamoylpyrazole Hemisulfate

9. 6h5th7qby8

10. Mfcd00013093

11. 3-amino-4-carboxamidopyrazole Hemisulfate

12. 5-amino-1h-pyrazole-4-carboxamide Hemisulphate

13. Einecs 248-503-6

14. 3-aminopyrazole-4-carboxamide Hemisulphate

15. Unii-6h5th7qby8

16. Ec 248-503-6

17. Allopurinol Related Compound A

18. Dtxsid90181933

19. Act01774

20. Akos005258529

21. Akos030504524

22. Cs-w009403

23. Sb10163

24. 3-amino Pyrazole Carboxamide Hemisulfate

25. Ac-16100

26. As-15536

27. Sy020966

28. A5327

29. Ft-0614907

30. 511a791

31. 3-amino-1h-pyrazole-4-carboxamide Sulfate (2:1)

32. Pyrazole-4-carboxamide, 3-amino-, Sulfate (2:1)

33. Allopurinol Related Compound A, United States Pharmacopeia (usp) Reference Standard

34. Allopurinol Related Compound A, Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 350.32 g/mol
Molecular Formula C8H14N8O6S
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass350.07570137 g/mol
Monoisotopic Mass350.07570137 g/mol
Topological Polar Surface Area279 Ų
Heavy Atom Count23
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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