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-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide

C77H84Cl5F15N20O11S5 — CID 161245523

About 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-methyl-3-(3,3,3-trifluoropropylsulfonyl)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-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide (PubChem CID 161245523) has the molecular formula C77H84Cl5F15N20O11S5 and a molecular weight of 2088.22 g/mol. Its IUPAC name is 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-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide.

Molecular Properties

• Compound Name: 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-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide
• PubChem CID: 161245523
• Molecular Formula: C77H84Cl5F15N20O11S5
• Molecular Weight: 2088.22 g/mol
• Exact Mass: 2084.34
• IUPAC Name: 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-methyl-3-(3,3,3-trifluoropropylsulfonyl)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.CN(C(=O)CCS(=O)(=O)CCC(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.C15H16ClF3N4O3S.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;1-22(13(24)4-7-27(25,26)8-5-15(17,18)19)12-10-23(21-14(12)16)11-3-2-6-20-9-11;1-22(13(24)4-7-26(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;2-3,6,9-10H,4-5,7-8H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3;2-3,6,9-10H,4-5,7-8H2,1H3
• InChIKey: VAOWNMOCUROAFW-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 357.52 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 37
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2088.22
LogP ≤ 5	15.97
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-(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-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide?

The IUPAC name of 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-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide (CID 161245523) is 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-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide.

What is the SMILES notation for 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-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide?

The canonical SMILES for 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-methyl-3-(3,3,3-trifluoropropylsulfonyl)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.CN(C(=O)CCS(=O)(=O)CCC(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-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-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide?

The InChIKey is VAOWNMOCUROAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4O3S.C16H18ClF3N4O2S.C15H16ClF3N4O3S.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;1-22(13(24)4-7-27(25,26)8-5-15(17,18)19)12-10-23(21-14(12)16)11-3-2-6-20-9-11;1-22(13(24)4-7-26(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;2-3,6,9-10H,4-5,7-8H2,1H3;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-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-methyl-3-(3,3,3-trifluoropropylsulfonyl)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-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide has a molecular weight of 2088.22 g/mol, XLogP of 15.97, 37 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-(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-methyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide is sourced from PubChem (CID 161245523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).