3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate

C102H112BrCl6F26N25O10S6 — CID 161082032

About 3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate

3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate (PubChem CID 161082032) has the molecular formula C102H112BrCl6F26N25O10S6 and a molecular weight of 2827.15 g/mol. Its IUPAC name is 3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate.

Molecular Properties

• Compound Name: 3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate
• PubChem CID: 161082032
• Molecular Formula: C102H112BrCl6F26N25O10S6
• Molecular Weight: 2827.15 g/mol
• Exact Mass: 2821.42
• IUPAC Name: 3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate
• SMILES: CCN(C(=O)CCS(=O)(=O)N(C)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCS(=O)C(C)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)C(F)(F)Br)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)C(F)(F)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)OCCSC)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C19H18ClF9N4OS.C18H18ClF7N4OS.C17H18BrClF4N4OS.C17H21ClF3N5O3S.C17H20ClF3N4O2S.C14H17ClN4O2S/c1-2-32(13-11-33(31-15(13)20)12-4-3-7-30-10-12)14(34)5-8-35-9-6-16(21,22)17(23,24)18(25,26)19(27,28)29;1-2-29(13-11-30(28-15(13)19)12-4-3-7-27-10-12)14(31)5-8-32-9-6-16(20,21)17(22,23)18(24,25)26;1-2-26(13-11-27(25-15(13)19)12-4-3-7-24-10-12)14(28)5-8-29-9-6-16(20,21)17(18,22)23;1-3-25(14-12-26(23-16(14)18)13-5-4-8-22-11-13)15(27)6-10-30(28,29)24(2)9-7-17(19,20)21;1-3-24(15(26)6-8-28(27)12(2)9-17(19,20)21)14-11-25(23-16(14)18)13-5-4-7-22-10-13;1-3-18(14(20)21-7-8-22-2)12-10-19(17-13(12)15)11-5-4-6-16-9-11/h3-4,7,10-11H,2,5-6,8-9H2,1H3;3-4,7,10-11H,2,5-6,8-9H2,1H3;3-4,7,10-11H,2,5-6,8-9H2,1H3;4-5,8,11-12H,3,6-7,9-10H2,1-2H3;4-5,7,10-12H,3,6,8-9H2,1-2H3;4-6,9-10H,3,7-8H2,1-2H3
• InChIKey: UGAPWFPYWSCGBF-UHFFFAOYSA-N
• XLogP: 27.16
• TPSA: 369.80 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 54
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2827.15
LogP ≤ 5	27.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate?

The IUPAC name of 3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate (CID 161082032) is 3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate.

What is the SMILES notation for 3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate?

The canonical SMILES for 3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate is CCN(C(=O)CCS(=O)(=O)N(C)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCS(=O)C(C)CC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)C(F)(F)Br)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)C(F)(F)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)OCCSC)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of 3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate?

The InChIKey is UGAPWFPYWSCGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF9N4OS.C18H18ClF7N4OS.C17H18BrClF4N4OS.C17H21ClF3N5O3S.C17H20ClF3N4O2S.C14H17ClN4O2S/c1-2-32(13-11-33(31-15(13)20)12-4-3-7-30-10-12)14(34)5-8-35-9-6-16(21,22)17(23,24)18(25,26)19(27,28)29;1-2-29(13-11-30(28-15(13)19)12-4-3-7-27-10-12)14(31)5-8-32-9-6-16(20,21)17(22,23)18(24,25)26;1-2-26(13-11-27(25-15(13)19)12-4-3-7-24-10-12)14(28)5-8-29-9-6-16(20,21)17(18,22)23;1-3-25(14-12-26(23-16(14)18)13-5-4-8-22-11-13)15(27)6-10-30(28,29)24(2)9-7-17(19,20)21;1-3-24(15(26)6-8-28(27)12(2)9-17(19,20)21)14-11-25(23-16(14)18)13-5-4-7-22-10-13;1-3-18(14(20)21-7-8-22-2)12-10-19(17-13(12)15)11-5-4-6-16-9-11/h3-4,7,10-11H,2,5-6,8-9H2,1H3;3-4,7,10-11H,2,5-6,8-9H2,1H3;3-4,7,10-11H,2,5-6,8-9H2,1H3;4-5,8,11-12H,3,6-7,9-10H2,1-2H3;4-5,7,10-12H,3,6,8-9H2,1-2H3;4-6,9-10H,3,7-8H2,1-2H3.

What are the key properties of 3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate?

3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate has a molecular weight of 2827.15 g/mol, XLogP of 27.16, 54 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-bromo-3,3,4,4-tetrafluorobutyl)sulfanyl-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,5-heptafluoropentylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(4,4,4-trifluorobutan-2-ylsulfinyl)propanamide;2-methylsulfanylethyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamate is sourced from PubChem (CID 161082032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).