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CAS 18048-64-1
CAS 18048-64-1
Also known as: 18048-64-1, 1-(3,4-dimethylphenyl)-3-methyl-1h-pyrazol-5(4h)-one, 3-methyl-1-(3,4-dimethylphenyl)-2-pyrazolin-5-one, 3h-pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-, 3h-pyrazol-3-one,2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-, 2-pyrazolin-5-one, 3-methyl-1-(3,4-xylyl)-
Molecular Formula
Molecular Weight
202.257  g/mol
InChI Key

1 2D Structure

CAS 18048-64-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2.1.2 InChI
2.1.3 InChI Key
2.1.4 Canonical SMILES
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 18048-64-1

2. 1-(3,4-dimethylphenyl)-3-methyl-1h-pyrazol-5(4h)-one

3. 3-methyl-1-(3,4-dimethylphenyl)-2-pyrazolin-5-one

4. 3h-pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-

5. 3h-pyrazol-3-one,2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-

6. 2-pyrazolin-5-one, 3-methyl-1-(3,4-xylyl)-

7. 2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3h-pyrazol-3-one

8. Ac1mvwbc

9. Schembl4663211

10. Ctk4d7627

11. Dtxsid40395407

12. Molport-000-998-626

13. Cs-b0773

14. Ks-00000ls5

15. 2-(3,4-dimethyl-phenyl)-5-methyl-2,4-dihydropyrazol-3-one

16. Mfcd00638319

17. 3-methyl-1-(3,4-dimethylphenyl)-

18. Akos000289052

19. Zinc100069082

20. Acn-041349

21. As07144

22. Acm18048641

23. Ac-25855

24. Ak167074

25. He043671

26. He146223

27. Kb-32079

28. Ft-0688738

29. Lt00087801

30. 1-(3,4-dimethylphenyl)-3-methyl-1h-pyrazole-5(4h)-one

31. 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-3h-pyrazol-3-one

2.3 Create Date
3 Chemical and Physical Properties
Molecular Weight 202.257 g/mol
Molecular Formula C12H14N2O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass202.111 g/mol
Monoisotopic Mass202.111 g/mol
Topological Polar Surface Area32.7 A^2
Heavy Atom Count15
Formal Charge0
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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