N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide

C102H109BrCl7F15N24O7S7 — CID 158806790

About N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide

N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide (PubChem CID 158806790) has the molecular formula C102H109BrCl7F15N24O7S7 and a molecular weight of 2620.67 g/mol. Its IUPAC name is N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide.

Molecular Properties

• Compound Name: N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide
• PubChem CID: 158806790
• Molecular Formula: C102H109BrCl7F15N24O7S7
• Molecular Weight: 2620.67 g/mol
• Exact Mass: 2614.37
• IUPAC Name: N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide
• SMILES: CCN(C(=O)CCSCCC(=O)c1ccc(Cl)cc1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(C)=O)c1cn(-c2cccnc2)nc1Cl.CSCC(C)C(=O)N(C)c1cn(-c2cncc(Br)c2)nc1Cl.FC(F)(F)SCCC(=S)Nc1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CCCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C22H22Cl2N4O2S.C19H21ClF6N4OS.C18H19ClF6N4OS.C17H21ClN4O2S.C14H16BrClN4OS.C12H10ClF3N4S2/c1-2-27(19-15-28(26-22(19)24)18-4-3-11-25-14-18)21(30)10-13-31-12-9-20(29)16-5-7-17(23)8-6-16;20-17-15(13-30(28-17)14-4-3-8-27-12-14)29(9-2-1-6-18(21,22)23)16(31)5-10-32-11-7-19(24,25)26;19-16-14(12-29(27-16)13-3-1-7-26-11-13)28(8-2-5-17(20,21)22)15(30)4-9-31-10-6-18(23,24)25;1-3-21(16(24)7-10-25-9-6-13(2)23)15-12-22(20-17(15)18)14-5-4-8-19-11-14;1-9(8-22-3)14(21)19(2)12-7-20(18-13(12)16)11-4-10(15)5-17-6-11;13-11-9(18-10(21)3-5-22-12(14,15)16)7-20(19-11)8-2-1-4-17-6-8/h3-8,11,14-15H,2,9-10,12-13H2,1H3;3-4,8,12-13H,1-2,5-7,9-11H2;1,3,7,11-12H,2,4-6,8-10H2;4-5,8,11-12H,3,6-7,9-10H2,1-2H3;4-7,9H,8H2,1-3H3;1-2,4,6-7H,3,5H2,(H,18,21)
• InChIKey: IUEDICZUMYRFFW-UHFFFAOYSA-N
• XLogP: 28.38
• TPSA: 331.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 50
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2620.67
LogP ≤ 5	28.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide?

The IUPAC name of N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide (CID 158806790) is N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide.

What is the SMILES notation for N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide?

The canonical SMILES for N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide is CCN(C(=O)CCSCCC(=O)c1ccc(Cl)cc1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(C)=O)c1cn(-c2cccnc2)nc1Cl.CSCC(C)C(=O)N(C)c1cn(-c2cncc(Br)c2)nc1Cl.FC(F)(F)SCCC(=S)Nc1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CCCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide?

The InChIKey is IUEDICZUMYRFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2S.C19H21ClF6N4OS.C18H19ClF6N4OS.C17H21ClN4O2S.C14H16BrClN4OS.C12H10ClF3N4S2/c1-2-27(19-15-28(26-22(19)24)18-4-3-11-25-14-18)21(30)10-13-31-12-9-20(29)16-5-7-17(23)8-6-16;20-17-15(13-30(28-17)14-4-3-8-27-12-14)29(9-2-1-6-18(21,22)23)16(31)5-10-32-11-7-19(24,25)26;19-16-14(12-29(27-16)13-3-1-7-26-11-13)28(8-2-5-17(20,21)22)15(30)4-9-31-10-6-18(23,24)25;1-3-21(16(24)7-10-25-9-6-13(2)23)15-12-22(20-17(15)18)14-5-4-8-19-11-14;1-9(8-22-3)14(21)19(2)12-7-20(18-13(12)16)11-4-10(15)5-17-6-11;13-11-9(18-10(21)3-5-22-12(14,15)16)7-20(19-11)8-2-1-4-17-6-8/h3-8,11,14-15H,2,9-10,12-13H2,1H3;3-4,8,12-13H,1-2,5-7,9-11H2;1,3,7,11-12H,2,4-6,8-10H2;4-5,8,11-12H,3,6-7,9-10H2,1-2H3;4-7,9H,8H2,1-3H3;1-2,4,6-7H,3,5H2,(H,18,21).

What are the key properties of N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide?

N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide has a molecular weight of 2620.67 g/mol, XLogP of 28.38, 50 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-bromo-3-pyridinyl)-3-chloropyrazol-4-yl]-N,2-dimethyl-3-methylsulfanylpropanamide;3-[3-(4-chlorophenyl)-3-oxopropyl]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-oxobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4,4,4-trifluorobutyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(trifluoromethylsulfanyl)propanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(5,5,5-trifluoropentyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide is sourced from PubChem (CID 158806790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).