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Also known as: 907204-31-3, Xemium, Fluxapyroxad [iso], 3-(difluoromethyl)-1-methyl-n-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide, 7u8p4nar2s, 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluorobiphenyl-2-yl)pyrazole-4-carboxamide

Molecular Formula

C₁₈H₁₂F₅N₃O

Molecular Weight

381.3 g/mol

InChI Key

SXSGXWCSHSVPGB-UHFFFAOYSA-N

FDA UNII

7U8P4NAR2S

1 2D Structure

Fluxapyroxad

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide

2.1.2 InChI

InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)

2.1.3 InChI Key

SXSGXWCSHSVPGB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F

2.2 Other Identifiers

2.2.1 UNII

7U8P4NAR2S

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluoro(1,1'-biphenyl)-2-yl)-1h-pyrazole-4-carboxamide

2. Xemium

2.3.2 Depositor-Supplied Synonyms

1. 907204-31-3

2. Xemium

3. Fluxapyroxad [iso]

4. 3-(difluoromethyl)-1-methyl-n-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide

5. 7u8p4nar2s

6. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluorobiphenyl-2-yl)pyrazole-4-carboxamide

7. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluoro(1,1'-biphenyl)-2-yl)-1h-pyrazole-4-carboxamide

8. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluoro-[1,1'-biphenyl]-2-yl)-1h-pyrazole-4-carboxamide

9. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluorobiphenyl-2-yl)-1h-pyrazole-4-carboxamide; Xemium

10. Unii-7u8p4nar2s

11. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluoro[1,1'-biphenyl]-2-yl)-1h-pyrazole-4-carboxamide

12. Schembl167627

13. Dtxsid6058215

14. Chebi:83113

15. Ex-a1676

16. Zinc35076028

17. Ac-36586

18. As-36599

19. Fluxapyroxad 100 Microg/ml In Acetonitrile

20. Hy-135549

21. Cs-0113442

22. Fluxapyroxad, Pestanal(r), Analytical Standard

23. Q15632875

24. 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluorobiphenyl-2-yl)-1h-pyrazole-4-carboxamide

25. N-(2-(3,4,5-trifluorophenyl)phenyl)-3-difluoromethyl-1-methylpyrazole-4-carboxamide

26. N-(3',4',5'-trifluorobiphenyl-2-yl)-1-methyl-3-difluoromethyl-1h-pyrazole-4-carboxamide

27. N-(3',4',5'-trifluorobiphenyl-2-yl)-3-difluoromethyl-1-methyl-1h-pyrazole-4-carboxamide

28. 1h-pyrazole-4-carboxamide, 3-(difluoromethyl)-1-methyl-n-(3',4',5'-trifluoro[1,1'-biphenyl]-2-yl)-

29. 3-(difluoromethyl)-1-methyl-n-(3 Inverted Exclamation Marka,4 Inverted Exclamation Marka,5 Inverted Exclamation Marka-trifluorobiphenyl-2-yl)pyrazole-4-carboxamide

2.4 Create Date

2007-06-18

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₂F₅N₃O
Molecular Weight	381.3 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	381.09005283 g/mol
Monoisotopic Mass	381.09005283 g/mol
Topological Polar Surface Area	46.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	513
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1