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Also known as: 1477919-27-9, Tyclopyrazoflor [iso], Sj5cfr2sph, N-(3-chloro-1-(3-pyridyl)pyrazol-4-yl)-n-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide, N-(3-chloro-1-(3-pyridinyl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)thio)propanamide, N-(3-chloro-1-(pyridin-3-yl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)sulfanyl)propanamide

Molecular Formula

C₁₆H₁₈ClF₃N₄OS

Molecular Weight

406.9 g/mol

InChI Key

DBHVHTPMRCXCIY-UHFFFAOYSA-N

FDA UNII

SJ5CFR2SPH

1 2D Structure

Tyclopyrazoflor

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide

2.1.2 InChI

InChI=1S/C16H18ClF3N4OS/c1-2-23(14(25)5-8-26-9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12/h3-4,7,10-11H,2,5-6,8-9H2,1H3

2.1.3 InChI Key

DBHVHTPMRCXCIY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(C1=CN(N=C1Cl)C2=CN=CC=C2)C(=O)CCSCCC(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

SJ5CFR2SPH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1477919-27-9

2. Tyclopyrazoflor [iso]

3. Sj5cfr2sph

4. N-(3-chloro-1-(3-pyridyl)pyrazol-4-yl)-n-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide

5. N-(3-chloro-1-(3-pyridinyl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)thio)propanamide

6. N-(3-chloro-1-(pyridin-3-yl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)sulfanyl)propanamide

7. Propanamide, N-(3-chloro-1-(3-pyridinyl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)thio)-

8. N-[3-chloro-1-(3-pyridinyl)-1h-pyrazol-4-yl]-n-ethyl-3-[(3,3,3-trifluoropropyl)thio]propanamide

9. N-[3-chloro-1-(pyridin-3-yl)-1h-pyrazol-4-yl]-n-ethyl-3-[(3,3,3-trifluoropropyl)sulfanyl]propanamide

10. Propanamide, N-[3-chloro-1-(3-pyridinyl)-1h-pyrazol-4-yl]-n-ethyl-3-[(3,3,3-trifluoropropyl)thio]-

11. Unii-sj5cfr2sph

12. Schembl15346456

13. Dtxsid20894948

14. Xde-607

15. Chebi:143525

16. Hy-114117

17. Cs-0069895

18. X12317607

19. N-(3-chloro-1-(pyridin-3-yl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)thio) Propanamide

20. N-(3-chloro-1-(pyridin-3-yl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluoropropyl)thio)propanamide

21. N-(3-chloro-1-(pyridin-3-yl)-1h-pyrazol-4-yl)-n-ethyl-3-((3,3,3-trifluropropyl)thio)propanamide

22. N-[3-chloro-1-(3-pyridyl)-1h-pyrazol-4-yl]-n-ethyl-3-[(3,3,3-trifluoropropyl)thio]propionamide

2.4 Create Date

2015-02-02

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₈ClF₃N₄OS
Molecular Weight	406.9 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	406.0841946 g/mol
Monoisotopic Mass	406.0841946 g/mol
Topological Polar Surface Area	76.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	458
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