CAS 926663-00-5

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Chemistry

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Also known as: 926663-00-5, Ethyl 5-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate, 1026456-01-8, Ethyl 5-oxo-4h-pyrazolo[1,5-a]pyrimidine-3-carboxylate, 5-oxo-4,5-dihydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester, Mfcd12407818

Molecular Formula

C₉H₉N₃O₃

Molecular Weight

207.19 g/mol

InChI Key

PCKVUOAPCLMZJI-UHFFFAOYSA-N

1 2D Structure

CAS 926663-00-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

2.1.2 InChI

InChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-10-12-4-3-7(13)11-8(6)12/h3-5H,2H2,1H3,(H,11,13)

2.1.3 InChI Key

PCKVUOAPCLMZJI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C2NC(=O)C=CN2N=C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 926663-00-5

2. Ethyl 5-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate

3. 1026456-01-8

4. Ethyl 5-oxo-4h-pyrazolo[1,5-a]pyrimidine-3-carboxylate

5. 5-oxo-4,5-dihydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid Ethyl Ester

6. Mfcd12407818

7. 5-hydroxy-pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid Ethyl Ester

8. Schembl404918

9. Dtxsid10582923

10. Pckvuoapclmzji-uhfffaoysa-n

11. Amy41209

12. Bcp20685

13. Cs-d1654

14. Akos005073902

15. Pb29995

16. Ac-31766

17. Am807426

18. Sy096834

19. Bb 0262438

20. Ft-0681737

21. A849205

22. Ethyl5-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate

23. Ethyl 5-oxo-1,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

24. Ethyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate

25. 5-oxo-1,5-dihydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid Ethyl Ester

2.3 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₉H₉N₃O₃
Molecular Weight	207.19 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	73.2
Heavy Atom Count	15
Formal Charge	0
Complexity	316
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