CAS 1224944-77-7

1 2D Structure

CAS 1224944-77-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

2.1.2 InChI

InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13/h3-5H,2H2,1H3

2.1.3 InChI Key

UOZKVCQDLXBWBG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C2N=C(C=CN2N=C1)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1224944-77-7

2. Mfcd12407819

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

4. Schembl402500

5. Dtxsid10728728

6. Ethyl5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

7. Amy22328

8. Bcp14429

9. Cs-d0465

10. Zinc72232917

11. Akos015969059

12. Ds-0935

13. Pb24026

14. Ac-31284

15. Sy046548

16. A891117

17. Ethyl 5-chloropyrazolo-[1,5-a]pyrimidine-3-carboxylate

18. 5-chloro-pyrazolo1,5-apyrimidine-3-carboxylic Acid Ethyl Ester

19. Pyrazolo[1,5-a]pyrimidine-3-carboxylic Acid, 5-chloro-, Ethyl Ester

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₉H₈ClN₃O₂
Molecular Weight	225.63 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	225.0305042 g/mol
Monoisotopic Mass	225.0305042 g/mol
Topological Polar Surface Area	56.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	252
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

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