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Also known as: 739364-95-5, Mfcd19443280, 2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, Schembl5066688, Amy9287, Dtxsid40630527
Molecular Formula
C8H7N3O2
Molecular Weight
177.16  g/mol
InChI Key
YHVGUXFUOSJCFJ-UHFFFAOYSA-N

CAS 739364-95-5
1 2D Structure

CAS 739364-95-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
2.1.2 InChI
InChI=1S/C8H7N3O2/c1-5-2-7-9-3-6(8(12)13)4-11(7)10-5/h2-4H,1H3,(H,12,13)
2.1.3 InChI Key
YHVGUXFUOSJCFJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NN2C=C(C=NC2=C1)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 739364-95-5

2. Mfcd19443280

3. 2-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic Acid

4. Schembl5066688

5. Amy9287

6. Dtxsid40630527

7. Bcp09334

8. Sc1102

9. Zinc82398518

10. Akos022708956

11. Cs-w003908

12. Ds-8624

13. Pb21492

14. Da-25788

15. Sy033503

16. Ft-0722862

17. M2760

18. A852234

19. 2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylicacid

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 177.16 g/mol
Molecular Formula C8H7N3O2
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass177.053826475 g/mol
Monoisotopic Mass177.053826475 g/mol
Topological Polar Surface Area67.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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