N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide

C84H95Cl5F16N20O6S6 — CID 159219234

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide (PubChem CID 159219234) has the molecular formula C84H95Cl5F16N20O6S6 and a molecular weight of 2154.45 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide
• PubChem CID: 159219234
• Molecular Formula: C84H95Cl5F16N20O6S6
• Molecular Weight: 2154.45 g/mol
• Exact Mass: 2150.43
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide
• SMILES: CCN(C(=O)CCSC(C)C)c1cn(-c2cccnc2)nc1Cl.CSC(CC(=O)N(CCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl)C(F)(F)F.CSC(CC(=O)N(CCCCF)c1cn(-c2cccnc2)nc1Cl)C(F)(F)F.CSCC(C)C(=O)N(CCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CSCCC(=O)N(C(=O)CC(SC)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C17H17ClF6N4OS.C17H19ClF4N4OS.C17H18ClF3N4O2S2.C17H20ClF3N4OS.C16H21ClN4OS/c1-30-13(17(22,23)24)8-14(29)27(7-3-5-16(19,20)21)12-10-28(26-15(12)18)11-4-2-6-25-9-11;1-28-14(17(20,21)22)9-15(27)25(8-3-2-6-19)13-11-26(24-16(13)18)12-5-4-7-23-10-12;1-28-7-5-14(26)25(15(27)8-13(29-2)17(19,20)21)12-10-24(23-16(12)18)11-4-3-6-22-9-11;1-12(11-27-2)16(26)24(8-4-6-17(19,20)21)14-10-25(23-15(14)18)13-5-3-7-22-9-13;1-4-20(15(22)7-9-23-12(2)3)14-11-21(19-16(14)17)13-6-5-8-18-10-13/h2,4,6,9-10,13H,3,5,7-8H2,1H3;4-5,7,10-11,14H,2-3,6,8-9H2,1H3;3-4,6,9-10,13H,5,7-8H2,1-2H3;3,5,7,9-10,12H,4,6,8,11H2,1-2H3;5-6,8,10-12H,4,7,9H2,1-3H3
• InChIKey: KRLXYMQALSNQKI-UHFFFAOYSA-N
• XLogP: 22.59
• TPSA: 272.17 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 40
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2154.45
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_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-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide (CID 159219234) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide is CCN(C(=O)CCSC(C)C)c1cn(-c2cccnc2)nc1Cl.CSC(CC(=O)N(CCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl)C(F)(F)F.CSC(CC(=O)N(CCCCF)c1cn(-c2cccnc2)nc1Cl)C(F)(F)F.CSCC(C)C(=O)N(CCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CSCCC(=O)N(C(=O)CC(SC)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide?

The InChIKey is KRLXYMQALSNQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF6N4OS.C17H19ClF4N4OS.C17H18ClF3N4O2S2.C17H20ClF3N4OS.C16H21ClN4OS/c1-30-13(17(22,23)24)8-14(29)27(7-3-5-16(19,20)21)12-10-28(26-15(12)18)11-4-2-6-25-9-11;1-28-14(17(20,21)22)9-15(27)25(8-3-2-6-19)13-11-26(24-16(13)18)12-5-4-7-23-10-12;1-28-7-5-14(26)25(15(27)8-13(29-2)17(19,20)21)12-10-24(23-16(12)18)11-4-3-6-22-9-11;1-12(11-27-2)16(26)24(8-4-6-17(19,20)21)14-10-25(23-15(14)18)13-5-3-7-22-9-13;1-4-20(15(22)7-9-23-12(2)3)14-11-21(19-16(14)17)13-6-5-8-18-10-13/h2,4,6,9-10,13H,3,5,7-8H2,1H3;4-5,7,10-11,14H,2-3,6,8-9H2,1H3;3-4,6,9-10,13H,5,7-8H2,1-2H3;3,5,7,9-10,12H,4,6,8,11H2,1-2H3;5-6,8,10-12H,4,7,9H2,1-3H3.

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide has a molecular weight of 2154.45 g/mol, XLogP of 22.59, 40 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-propan-2-ylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-(4-fluorobutyl)-3-methylsulfanylbutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(3-methylsulfanylpropanoyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide is sourced from PubChem (CID 159219234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).