N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide

C116H130Cl3F27N28O7S7 — CID 161339174

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide (PubChem CID 161339174) has the molecular formula C116H130Cl3F27N28O7S7 and a molecular weight of 2872.28 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide
• PubChem CID: 161339174
• Molecular Formula: C116H130Cl3F27N28O7S7
• Molecular Weight: 2872.28 g/mol
• Exact Mass: 2868.74
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide
• SMILES: C=C(CSCCC(=O)N(CC)c1cn(-c2cccnc2)nc1Cl)C(F)(F)F.CCN(C(=O)CCSCC(F)(F)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1C.CCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cncc(F)c2)nc1C.Cc1nn(-c2cccnc2)cc1N(C)C(=O)CCSCCC(F)(F)F.Cc1nn(-c2cncc(F)c2)cc1N(C)C(=O)CCSCCC(F)(F)F
• InChI: InChI=1S/C17H18ClF5N4OS.C17H18ClF3N4OS.C17H20F4N4OS.C17H21F3N4OS.C16H16ClF5N4OS.C16H18F4N4OS.C16H19F3N4OS/c1-2-26(13-11-27(25-15(13)18)12-4-3-7-24-10-12)14(28)5-8-29-9-6-16(19,20)17(21,22)23;1-3-24(15(26)6-8-27-11-12(2)17(19,20)21)14-10-25(23-16(14)18)13-5-4-7-22-9-13;1-3-24(16(26)4-6-27-7-5-17(19,20)21)15-11-25(23-12(15)2)14-8-13(18)9-22-10-14;1-3-23(16(25)6-9-26-10-7-17(18,19)20)15-12-24(22-13(15)2)14-5-4-8-21-11-14;1-2-25(13(27)5-7-28-10-15(18,19)16(20,21)22)12-9-26(24-14(12)17)11-4-3-6-23-8-11;1-11-14(10-24(22-11)13-7-12(17)8-21-9-13)23(2)15(25)3-5-26-6-4-16(18,19)20;1-12-14(11-23(21-12)13-4-3-7-20-10-13)22(2)15(24)5-8-25-9-6-16(17,18)19/h3-4,7,10-11H,2,5-6,8-9H2,1H3;4-5,7,9-10H,2-3,6,8,11H2,1H3;8-11H,3-7H2,1-2H3;4-5,8,11-12H,3,6-7,9-10H2,1-2H3;3-4,6,8-9H,2,5,7,10H2,1H3;7-10H,3-6H2,1-2H3;3-4,7,10-11H,5-6,8-9H2,1-2H3
• InChIKey: VMLAENQBBKVATQ-UHFFFAOYSA-N
• XLogP: 29.61
• TPSA: 357.14 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 55
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2872.28
LogP ≤ 5	29.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide (CID 161339174) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide is C=C(CSCCC(=O)N(CC)c1cn(-c2cccnc2)nc1Cl)C(F)(F)F.CCN(C(=O)CCSCC(F)(F)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1C.CCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cncc(F)c2)nc1C.Cc1nn(-c2cccnc2)cc1N(C)C(=O)CCSCCC(F)(F)F.Cc1nn(-c2cncc(F)c2)cc1N(C)C(=O)CCSCCC(F)(F)F.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide?

The InChIKey is VMLAENQBBKVATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF5N4OS.C17H18ClF3N4OS.C17H20F4N4OS.C17H21F3N4OS.C16H16ClF5N4OS.C16H18F4N4OS.C16H19F3N4OS/c1-2-26(13-11-27(25-15(13)18)12-4-3-7-24-10-12)14(28)5-8-29-9-6-16(19,20)17(21,22)23;1-3-24(15(26)6-8-27-11-12(2)17(19,20)21)14-10-25(23-16(14)18)13-5-4-7-22-9-13;1-3-24(16(26)4-6-27-7-5-17(19,20)21)15-11-25(23-12(15)2)14-8-13(18)9-22-10-14;1-3-23(16(25)6-9-26-10-7-17(18,19)20)15-12-24(22-13(15)2)14-5-4-8-21-11-14;1-2-25(13(27)5-7-28-10-15(18,19)16(20,21)22)12-9-26(24-14(12)17)11-4-3-6-23-8-11;1-11-14(10-24(22-11)13-7-12(17)8-21-9-13)23(2)15(25)3-5-26-6-4-16(18,19)20;1-12-14(11-23(21-12)13-4-3-7-20-10-13)22(2)15(24)5-8-25-9-6-16(17,18)19/h3-4,7,10-11H,2,5-6,8-9H2,1H3;4-5,7,9-10H,2-3,6,8,11H2,1H3;8-11H,3-7H2,1-2H3;4-5,8,11-12H,3,6-7,9-10H2,1-2H3;3-4,6,8-9H,2,5,7,10H2,1H3;7-10H,3-6H2,1-2H3;3-4,7,10-11H,5-6,8-9H2,1-2H3.

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide has a molecular weight of 2872.28 g/mol, XLogP of 29.61, 55 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4,4-pentafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(2,2,3,3,3-pentafluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[2-(trifluoromethyl)prop-2-enylsulfanyl]propanamide;N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-methyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide is sourced from PubChem (CID 161339174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).