3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide

C106H125Cl8F9N28O11S7 — CID 158643265

About 3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide

3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide (PubChem CID 158643265) has the molecular formula C106H125Cl8F9N28O11S7 and a molecular weight of 2646.43 g/mol. Its IUPAC name is 3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide.

Molecular Properties

• Compound Name: 3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide
• PubChem CID: 158643265
• Molecular Formula: C106H125Cl8F9N28O11S7
• Molecular Weight: 2646.43 g/mol
• Exact Mass: 2640.55
• IUPAC Name: 3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide
• SMILES: CCN(C(=O)CC(CC(F)(F)F)SCc1ccncc1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC(CC(F)(F)F)SCc1cscn1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCN(CC)S(C)(=O)=O)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCN(CCCC(F)(F)F)S(C)(=O)=O)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCS(=O)CCCCl)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCCCl)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C21H21ClF3N5OS.C19H19ClF3N5OS2.C18H23ClF3N5O3S.C16H20Cl2N4O2S.C16H20Cl2N4OS.C16H22ClN5O3S/c1-2-29(18-13-30(28-20(18)22)16-4-3-7-27-12-16)19(31)10-17(11-21(23,24)25)32-14-15-5-8-26-9-6-15;1-2-27(16-9-28(26-18(16)20)14-4-3-5-24-8-14)17(29)6-15(7-19(21,22)23)31-11-13-10-30-12-25-13;1-3-26(15-13-27(24-17(15)19)14-6-4-9-23-12-14)16(28)7-11-25(31(2,29)30)10-5-8-18(20,21)22;1-2-21(15(23)6-10-25(24)9-4-7-17)14-12-22(20-16(14)18)13-5-3-8-19-11-13;1-2-21(15(23)6-10-24-9-4-7-17)14-12-22(20-16(14)18)13-5-3-8-19-11-13;1-4-20(26(3,24)25)10-8-15(23)21(5-2)14-12-22(19-16(14)17)13-7-6-9-18-11-13/h3-9,12-13,17H,2,10-11,14H2,1H3;3-5,8-10,12,15H,2,6-7,11H2,1H3;4,6,9,12-13H,3,5,7-8,10-11H2,1-2H3;3,5,8,11-12H,2,4,6-7,9-10H2,1H3;3,5,8,11-12H,2,4,6-7,9-10H2,1H3;6-7,9,11-12H,4-5,8,10H2,1-3H3
• InChIKey: IAQMTROOJXUXHS-UHFFFAOYSA-N
• XLogP: 22.97
• TPSA: 423.73 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 54
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2646.43
LogP ≤ 5	22.97
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': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide?

The IUPAC name of 3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide (CID 158643265) is 3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide.

What is the SMILES notation for 3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide?

The canonical SMILES for 3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide is CCN(C(=O)CC(CC(F)(F)F)SCc1ccncc1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC(CC(F)(F)F)SCc1cscn1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCN(CC)S(C)(=O)=O)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCN(CCCC(F)(F)F)S(C)(=O)=O)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCS(=O)CCCCl)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCCCl)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of 3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide?

The InChIKey is IAQMTROOJXUXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N5OS.C19H19ClF3N5OS2.C18H23ClF3N5O3S.C16H20Cl2N4O2S.C16H20Cl2N4OS.C16H22ClN5O3S/c1-2-29(18-13-30(28-20(18)22)16-4-3-7-27-12-16)19(31)10-17(11-21(23,24)25)32-14-15-5-8-26-9-6-15;1-2-27(16-9-28(26-18(16)20)14-4-3-5-24-8-14)17(29)6-15(7-19(21,22)23)31-11-13-10-30-12-25-13;1-3-26(15-13-27(24-17(15)19)14-6-4-9-23-12-14)16(28)7-11-25(31(2,29)30)10-5-8-18(20,21)22;1-2-21(15(23)6-10-25(24)9-4-7-17)14-12-22(20-16(14)18)13-5-3-8-19-11-13;1-2-21(15(23)6-10-24-9-4-7-17)14-12-22(20-16(14)18)13-5-3-8-19-11-13;1-4-20(26(3,24)25)10-8-15(23)21(5-2)14-12-22(19-16(14)17)13-7-6-9-18-11-13/h3-9,12-13,17H,2,10-11,14H2,1H3;3-5,8-10,12,15H,2,6-7,11H2,1H3;4,6,9,12-13H,3,5,7-8,10-11H2,1-2H3;3,5,8,11-12H,2,4,6-7,9-10H2,1H3;3,5,8,11-12H,2,4,6-7,9-10H2,1H3;6-7,9,11-12H,4-5,8,10H2,1-3H3.

What are the key properties of 3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide?

3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide has a molecular weight of 2646.43 g/mol, XLogP of 22.97, 54 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloropropylsulfanyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;3-(3-chloropropylsulfinyl)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[ethyl(methylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methylsulfonyl(4,4,4-trifluorobutyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(pyridin-4-ylmethylsulfanyl)pentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5,5,5-trifluoro-3-(1,3-thiazol-4-ylmethylsulfanyl)pentanamide is sourced from PubChem (CID 158643265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).