N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide

C81H90Cl5F11N22O6S5 — CID 161262742

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide (PubChem CID 161262742) has the molecular formula C81H90Cl5F11N22O6S5 and a molecular weight of 2014.34 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide
• PubChem CID: 161262742
• Molecular Formula: C81H90Cl5F11N22O6S5
• Molecular Weight: 2014.34 g/mol
• Exact Mass: 2010.43
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide
• SMILES: CN(C(=O)CC(S(C)=O)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCSc1nccc(C(F)(F)F)n1)c1cn(-c2cccnc2)nc1Cl.CSC(C)C(=O)N(CCCCF)c1cn(-c2cccnc2)nc1Cl.CSC(C)CC(=O)N(CCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CSCC(C)C(=O)N(CCCCF)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C17H14ClF3N6OS.C17H20ClF3N4OS.C17H22ClFN4OS.C16H20ClFN4OS.C14H14ClF3N4O2S/c1-26(12-10-27(25-15(12)18)11-3-2-6-22-9-11)14(28)5-8-29-16-23-7-4-13(24-16)17(19,20)21;1-12(27-2)9-15(26)24(8-4-6-17(19,20)21)14-11-25(23-16(14)18)13-5-3-7-22-10-13;1-13(12-25-2)17(24)22(9-4-3-7-19)15-11-23(21-16(15)18)14-6-5-8-20-10-14;1-12(24-2)16(23)21(9-4-3-7-18)14-11-22(20-15(14)17)13-6-5-8-19-10-13;1-21(12(23)6-11(25(2)24)14(16,17)18)10-8-22(20-13(10)15)9-4-3-5-19-7-9/h2-4,6-7,9-10H,5,8H2,1H3;3,5,7,10-12H,4,6,8-9H2,1-2H3;5-6,8,10-11,13H,3-4,7,9,12H2,1-2H3;5-6,8,10-12H,3-4,7,9H2,1-2H3;3-5,7-8,11H,6H2,1-2H3
• InChIKey: VCTSNXISLSIPCO-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 297.95 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2014.34
LogP ≤ 5	18.95
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-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide (CID 161262742) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide is CN(C(=O)CC(S(C)=O)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCSc1nccc(C(F)(F)F)n1)c1cn(-c2cccnc2)nc1Cl.CSC(C)C(=O)N(CCCCF)c1cn(-c2cccnc2)nc1Cl.CSC(C)CC(=O)N(CCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CSCC(C)C(=O)N(CCCCF)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide?

The InChIKey is VCTSNXISLSIPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N6OS.C17H20ClF3N4OS.C17H22ClFN4OS.C16H20ClFN4OS.C14H14ClF3N4O2S/c1-26(12-10-27(25-15(12)18)11-3-2-6-22-9-11)14(28)5-8-29-16-23-7-4-13(24-16)17(19,20)21;1-12(27-2)9-15(26)24(8-4-6-17(19,20)21)14-11-25(23-16(14)18)13-5-3-7-22-10-13;1-13(12-25-2)17(24)22(9-4-3-7-19)15-11-23(21-16(15)18)14-6-5-8-20-10-14;1-12(24-2)16(23)21(9-4-3-7-18)14-11-22(20-15(14)17)13-6-5-8-19-10-13;1-21(12(23)6-11(25(2)24)14(16,17)18)10-8-22(20-13(10)15)9-4-3-5-19-7-9/h2-4,6-7,9-10H,5,8H2,1H3;3,5,7,10-12H,4,6,8-9H2,1-2H3;5-6,8,10-11,13H,3-4,7,9,12H2,1-2H3;5-6,8,10-12H,3-4,7,9H2,1-2H3;3-5,7-8,11H,6H2,1-2H3.

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide has a molecular weight of 2014.34 g/mol, XLogP of 18.95, 36 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-(4-fluorobutyl)-2-methyl-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-2-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)butanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluoro-N-methyl-3-methylsulfinylbutanamide is sourced from PubChem (CID 161262742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).