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2D Structure
Also known as: Diphenamizole, 20170-20-1, Difenamizole [inn], Ap-14, Diphenamizole; pasalin, 1,3-diphenyl-5-(2-dimethylaminopropionamido)pyrazole
Molecular Formula
C20H22N4O
Molecular Weight
334.4  g/mol
InChI Key
PCXMKBOWWVXEDT-UHFFFAOYSA-N
FDA UNII
24MR6YLL3W

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(dimethylamino)-N-(2,5-diphenylpyrazol-3-yl)propanamide
2.1.2 InChI
InChI=1S/C20H22N4O/c1-15(23(2)3)20(25)21-19-14-18(16-10-6-4-7-11-16)22-24(19)17-12-8-5-9-13-17/h4-15H,1-3H3,(H,21,25)
2.1.3 InChI Key
PCXMKBOWWVXEDT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C(=O)NC1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)N(C)C
2.2 Other Identifiers
2.2.1 UNII
24MR6YLL3W
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Difenamizole Hydrochloride

2. Difenamizole Monohydrochloride

2.3.2 Depositor-Supplied Synonyms

1. Diphenamizole

2. 20170-20-1

3. Difenamizole [inn]

4. Ap-14

5. Diphenamizole; Pasalin

6. 1,3-diphenyl-5-(2-dimethylaminopropionamido)pyrazole

7. 24mr6yll3w

8. Propanamide, 2-(dimethylamino)-n-(1,3-diphenyl-1h-pyrazol-5-yl)-

9. 2-(dimethylamino)-n-(1,3-diphenylpyrazol-5-yl)propionamide

10. Pasalin

11. Difenamizol

12. Difenamizolum

13. Difenamizol [inn-spanish]

14. Difenamizolum [inn-latin]

15. Unii-24mr6yll3w

16. Brn 0698538

17. 2-(dimethylamino)-n-(1,3-diphenyl-1h-pyrazol-5-yl)propanamide

18. Propionamide, 2-(dimethylamino)-n-(1,3-diphenylpyrazol-5-yl)-

19. Difenamizole [mi]

20. Schembl25873

21. Chembl2105587

22. 2-(dimethylamino)-n-(2,5-diphenylpyrazol-3-yl)propanamide

23. Dtxsid60864923

24. Q15634045

25. 2-(dimethylamino)-n-[2,5-di(phenyl)pyrazol-3-yl]propanamide

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 334.4 g/mol
Molecular Formula C20H22N4O
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass334.17936134 g/mol
Monoisotopic Mass334.17936134 g/mol
Topological Polar Surface Area50.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1