CAS 27511-79-1

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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 Formula	C₈H₁₄N₈O₆S
Molecular Weight	350.32 g/mol
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Exact Mass	350.07570137 g/mol
Monoisotopic Mass	350.07570137 g/mol
Topological Polar Surface Area	279 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	207
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	3