N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide

C78H86Cl5F15N20O9S5 — CID 157171519

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide (PubChem CID 157171519) has the molecular formula C78H86Cl5F15N20O9S5 and a molecular weight of 2070.25 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide
• PubChem CID: 157171519
• Molecular Formula: C78H86Cl5F15N20O9S5
• Molecular Weight: 2070.25 g/mol
• Exact Mass: 2066.37
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide
• SMILES: CCN(C(=O)CCS(=O)(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCS(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCS(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C16H18ClF3N4O3S.C16H18ClF3N4O2S.C16H18ClF3N4OS.C15H16ClF3N4O2S.C15H16ClF3N4OS/c1-2-23(14(25)5-8-28(26,27)9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-2-23(14(25)5-8-27(26)9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-2-23(14(25)5-8-26-9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-22(13(24)4-7-26(25)8-5-15(17,18)19)12-10-23(21-14(12)16)11-3-2-6-20-9-11;1-22(13(24)4-7-25-8-5-15(17,18)19)12-10-23(21-14(12)16)11-3-2-6-20-9-11/h3-4,7,10-11H,2,5-6,8-9H2,1H3;3-4,7,10-11H,2,5-6,8-9H2,1H3;3-4,7,10-11H,2,5-6,8-9H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3
• InChIKey: ANNFSECBTSXZHE-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 323.38 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 38
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.25
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

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-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide (CID 157171519) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide is CCN(C(=O)CCS(=O)(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCS(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCS(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide?

The InChIKey is ANNFSECBTSXZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4O3S.C16H18ClF3N4O2S.C16H18ClF3N4OS.C15H16ClF3N4O2S.C15H16ClF3N4OS/c1-2-23(14(25)5-8-28(26,27)9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-2-23(14(25)5-8-27(26)9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-2-23(14(25)5-8-26-9-6-16(18,19)20)13-11-24(22-15(13)17)12-4-3-7-21-10-12;1-22(13(24)4-7-26(25)8-5-15(17,18)19)12-10-23(21-14(12)16)11-3-2-6-20-9-11;1-22(13(24)4-7-25-8-5-15(17,18)19)12-10-23(21-14(12)16)11-3-2-6-20-9-11/h3-4,7,10-11H,2,5-6,8-9H2,1H3;3-4,7,10-11H,2,5-6,8-9H2,1H3;3-4,7,10-11H,2,5-6,8-9H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3.

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide has a molecular weight of 2070.25 g/mol, XLogP of 17.68, 38 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide is sourced from PubChem (CID 157171519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).