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29274-24-6

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CHEMISTRY

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Chemistry

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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

CAS 29274-24-6

1 2D Structure

CAS 29274-24-6

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 Formula	C₆H₄ClN₃
Molecular Weight	153.57 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	30.2
Heavy Atom Count	10
Formal Charge	0
Complexity	130
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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