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2D Structure
Also known as: 29274-24-6, Pyrazolo[1,5-a]pyrimidine, 5-chloro-, 5-chloro-pyrazolo[1,5-a]pyrimidine, Mfcd04035683, Schembl405358, Dtxsid40610501
Molecular Formula
C6H4ClN3
Molecular Weight
153.57  g/mol
InChI Key
WEPRLWNMBTYGGD-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-chloropyrazolo[1,5-a]pyrimidine
2.1.2 InChI
InChI=1S/C6H4ClN3/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H
2.1.3 InChI Key
WEPRLWNMBTYGGD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CN2C(=CC=N2)N=C1Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 29274-24-6

2. Pyrazolo[1,5-a]pyrimidine, 5-chloro-

3. 5-chloro-pyrazolo[1,5-a]pyrimidine

4. Mfcd04035683

5. Schembl405358

6. Dtxsid40610501

7. Weprlwnmbtyggd-uhfffaoysa-n

8. Bcp04275

9. Cs-d1734

10. Akos005073889

11. Bg-0020

12. Fs-2831

13. Pb23376

14. Sy009281

15. 5-chloropyrazolo[1 Pound Not5-a]pyrimidine

16. Db-011435

17. Am20090387

18. En300-51050

19. 5-chloropyrazolo[1,5-a]pyrimidine, Aldrichcpr

20. A819861

21. J-517406

22. Z608420946

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 153.57 g/mol
Molecular Formula C6H4ClN3
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area30.2
Heavy Atom Count10
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1