N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide

C104H125Cl6F7N24O8S6 — CID 160584615

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide (PubChem CID 160584615) has the molecular formula C104H125Cl6F7N24O8S6 and a molecular weight of 2377.41 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide
• PubChem CID: 160584615
• Molecular Formula: C104H125Cl6F7N24O8S6
• Molecular Weight: 2377.41 g/mol
• Exact Mass: 2372.65
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide
• SMILES: CC(C)C(CC(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(C)=O.CCN(C(=O)CC(C(C)C)S(C)=O)c1cn(-c2cccnc2)nc1Cl.CSC(CC(=O)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl)c1ccccc1.CSCCC(=O)N(CCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CSCCC(=O)N(CCCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CSCCC(=O)N(CCCCF)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C22H23ClN4OS.C17H20ClF3N4OS.C17H23ClN4O2S.C16H18ClF3N4OS.C16H20ClFN4OS.C16H21ClN4O2S/c1-29-20(17-6-3-2-4-7-17)12-21(28)26(14-16-9-10-16)19-15-27(25-22(19)23)18-8-5-11-24-13-18;1-27-10-6-15(26)24(9-3-2-7-17(19,20)21)14-12-25(23-16(14)18)13-5-4-8-22-11-13;1-5-21(16(23)9-15(12(2)3)25(4)24)14-11-22(20-17(14)18)13-7-6-8-19-10-13;1-26-9-5-14(25)23(8-3-6-16(18,19)20)13-11-24(22-15(13)17)12-4-2-7-21-10-12;1-24-10-6-15(23)21(9-3-2-7-18)14-12-22(20-16(14)17)13-5-4-8-19-11-13;1-11(2)14(24(4)23)8-15(22)20(3)13-10-21(19-16(13)17)12-6-5-7-18-9-12/h2-8,11,13,15-16,20H,9-10,12,14H2,1H3;4-5,8,11-12H,2-3,6-7,9-10H2,1H3;6-8,10-12,15H,5,9H2,1-4H3;2,4,7,10-11H,3,5-6,8-9H2,1H3;4-5,8,11-12H,2-3,6-7,9-10H2,1H3;5-7,9-11,14H,8H2,1-4H3
• InChIKey: RCFQUBJNPPJUBH-UHFFFAOYSA-N
• XLogP: 23.75
• TPSA: 340.26 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 47
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2377.41
LogP ≤ 5	23.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide (CID 160584615) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide is CC(C)C(CC(=O)N(C)c1cn(-c2cccnc2)nc1Cl)S(C)=O.CCN(C(=O)CC(C(C)C)S(C)=O)c1cn(-c2cccnc2)nc1Cl.CSC(CC(=O)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl)c1ccccc1.CSCCC(=O)N(CCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CSCCC(=O)N(CCCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CSCCC(=O)N(CCCCF)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide?

The InChIKey is RCFQUBJNPPJUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4OS.C17H20ClF3N4OS.C17H23ClN4O2S.C16H18ClF3N4OS.C16H20ClFN4OS.C16H21ClN4O2S/c1-29-20(17-6-3-2-4-7-17)12-21(28)26(14-16-9-10-16)19-15-27(25-22(19)23)18-8-5-11-24-13-18;1-27-10-6-15(26)24(9-3-2-7-17(19,20)21)14-12-25(23-16(14)18)13-5-4-8-22-11-13;1-5-21(16(23)9-15(12(2)3)25(4)24)14-11-22(20-17(14)18)13-7-6-8-19-10-13;1-26-9-5-14(25)23(8-3-6-16(18,19)20)13-11-24(22-15(13)17)12-4-2-7-21-10-12;1-24-10-6-15(23)21(9-3-2-7-18)14-12-22(20-16(14)17)13-5-4-8-19-11-13;1-11(2)14(24(4)23)8-15(22)20(3)13-10-21(19-16(13)17)12-6-5-7-18-9-12/h2-8,11,13,15-16,20H,9-10,12,14H2,1H3;4-5,8,11-12H,2-3,6-7,9-10H2,1H3;6-8,10-12,15H,5,9H2,1-4H3;2,4,7,10-11H,3,5-6,8-9H2,1H3;4-5,8,11-12H,2-3,6-7,9-10H2,1H3;5-7,9-11,14H,8H2,1-4H3.

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide has a molecular weight of 2377.41 g/mol, XLogP of 23.75, 47 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-3-methylsulfanyl-3-phenylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,4-dimethyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4-methyl-3-methylsulfinylpentanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(4-fluorobutyl)-3-methylsulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(4,4,4-trifluorobutyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-methylsulfanyl-N-(5,5,5-trifluoropentyl)propanamide is sourced from PubChem (CID 160584615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).