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CAS 18048-64-1
Also known as: 18048-64-1, 1-(3,4-dimethylphenyl)-3-methyl-3-pyrazolin-5-one, 2-(3,4-dimethylphenyl)-5-methyl-4h-pyrazol-3-one, 3-methyl-1-(3,4-dimethylphenyl)-2-pyrazolin-5-one, 3h-pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-, Schembl4663211
Molecular Formula
C12H14N2O
Molecular Weight
202.25  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-3-pyrazolin-5-one

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

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

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

6. Schembl4663211

7. Dtxsid40395407

8. 2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3h-pyrazol-3-one

9. Amy22080

10. Bcp13325

11. Cs-b0773

12. Mfcd00638319

13. Akos000289052

14. Zinc100069082

15. Ac-25855

16. Da-28516

17. A4000

18. Ft-0688738

19. F11572

20. 2-pyrazolin-5-one,3-methyl-1-(3,4-xylyl)-

21. Sr-01000511301

22. Sr-01000511301-1

23. 1-(3,4-dimethylphenyl)-3-methyl-1h-pyrazole-5(4h)-one

24. 3h-pyrazol-3-one,2-(3,4-dimethyl Phenyl)-2,4-dihydro-5-methyl-

2.3 Create Date
2005-09-10
3 Chemical and Physical Properties
Molecular Weight 202.25 g/mol
Molecular Formula C12H14N2O
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass202.110613074 g/mol
Monoisotopic Mass202.110613074 g/mol
Topological Polar Surface Area32.7 Ų
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
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18048-64-1-277299-70-4
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Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...
Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.
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Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Tech...
Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.
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Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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