Close
4
pipeline-prospector-insert-v1
X

Overview

Client Email Product
CAS 18048-64-1
PharmaCompass
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
C12H14N2O
Molecular Weight
202.257  g/mol
InChI Key
GJBBAPXESBCGRU-UHFFFAOYSA-N

1 2D Structure

CAS 18048-64-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
2.1.2 InChI
InChI=1S/C12H14N2O/c1-8-4-5-11(6-9(8)2)14-12(15)7-10(3)13-14/h4-6H,7H2,1-3H3
2.1.3 InChI Key
GJBBAPXESBCGRU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NN(C(=O)C1)C2=CC(=C(C=C2)C)C
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
2005-09-10
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
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us