N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide

C100H111Cl6F18N23O10S7 — CID 158541827

About N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide

N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide (PubChem CID 158541827) has the molecular formula C100H111Cl6F18N23O10S7 and a molecular weight of 2574.29 g/mol. Its IUPAC name is N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide.

Molecular Properties

• Compound Name: N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide
• PubChem CID: 158541827
• Molecular Formula: C100H111Cl6F18N23O10S7
• Molecular Weight: 2574.29 g/mol
• Exact Mass: 2569.48
• IUPAC Name: N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide
• SMILES: CCN(C(=O)C(C)S(=O)(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)C(C)S(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCC(C)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCC=C(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)C(F)F)c1cn(-c2cccnc2)nc1Cl.CSCC(=O)N(C(=O)CCSCCC(F)(F)F)c1cn(-c2ccccc2)nc1Cl
• InChI: InChI=1S/C18H19ClF3N3O2S2.C17H19ClF4N4OS.C17H20ClF3N4OS.C16H18ClF3N4O3S.C16H18ClF3N4O2S.C16H17ClF2N4OS/c1-28-12-16(27)25(15(26)7-9-29-10-8-18(20,21)22)14-11-24(23-17(14)19)13-5-3-2-4-6-13;1-2-25(14(27)5-8-28-9-6-17(21,22)16(19)20)13-11-26(24-15(13)18)12-4-3-7-23-10-12;1-3-24(15(26)6-8-27-11-12(2)17(19,20)21)14-10-25(23-16(14)18)13-5-4-7-22-9-13;1-3-23(15(25)11(2)28(26,27)8-6-16(18,19)20)13-10-24(22-14(13)17)12-5-4-7-21-9-12;1-3-23(15(25)11(2)27(26)8-6-16(18,19)20)13-10-24(22-14(13)17)12-5-4-7-21-9-12;1-2-22(15(24)6-9-25-8-5-14(18)19)13-11-23(21-16(13)17)12-4-3-7-20-10-12/h2-6,11H,7-10,12H2,1H3;3-4,7,10-11,16H,2,5-6,8-9H2,1H3;4-5,7,9-10,12H,3,6,8,11H2,1-2H3;4-5,7,9-11H,3,6,8H2,1-2H3;4-5,7,9-11H,3,6,8H2,1-2H3;3-5,7,10-11H,2,6,8-9H2,1H3
• InChIKey: HOPOWKWCRJQYTD-UHFFFAOYSA-N
• XLogP: 24.68
• TPSA: 361.51 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 49
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2574.29
LogP ≤ 5	24.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide?

The IUPAC name of N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide (CID 158541827) is N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide.

What is the SMILES notation for N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide?

The canonical SMILES for N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide is CCN(C(=O)C(C)S(=O)(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)C(C)S(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCC(C)C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCC=C(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(F)(F)C(F)F)c1cn(-c2cccnc2)nc1Cl.CSCC(=O)N(C(=O)CCSCCC(F)(F)F)c1cn(-c2ccccc2)nc1Cl.

What is the InChIKey of N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide?

The InChIKey is HOPOWKWCRJQYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O2S2.C17H19ClF4N4OS.C17H20ClF3N4OS.C16H18ClF3N4O3S.C16H18ClF3N4O2S.C16H17ClF2N4OS/c1-28-12-16(27)25(15(26)7-9-29-10-8-18(20,21)22)14-11-24(23-17(14)19)13-5-3-2-4-6-13;1-2-25(14(27)5-8-28-9-6-17(21,22)16(19)20)13-11-26(24-15(13)18)12-4-3-7-23-10-12;1-3-24(15(26)6-8-27-11-12(2)17(19,20)21)14-10-25(23-16(14)18)13-5-4-7-22-9-13;1-3-23(15(25)11(2)28(26,27)8-6-16(18,19)20)13-10-24(22-14(13)17)12-5-4-7-21-9-12;1-3-23(15(25)11(2)27(26)8-6-16(18,19)20)13-10-24(22-14(13)17)12-5-4-7-21-9-12;1-2-22(15(24)6-9-25-8-5-14(18)19)13-11-23(21-16(13)17)12-4-3-7-20-10-12/h2-6,11H,7-10,12H2,1H3;3-4,7,10-11,16H,2,5-6,8-9H2,1H3;4-5,7,9-10,12H,3,6,8,11H2,1-2H3;4-5,7,9-11H,3,6,8H2,1-2H3;4-5,7,9-11H,3,6,8H2,1-2H3;3-5,7,10-11H,2,6,8-9H2,1H3.

What are the key properties of N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide?

N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide has a molecular weight of 2574.29 g/mol, XLogP of 24.68, 49 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-phenylpyrazol-4-yl)-N-(2-methylsulfanylacetyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluoroprop-2-enylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,4,4-tetrafluorobutylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(3,3,3-trifluoro-2-methylpropyl)sulfanylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfinyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(3,3,3-trifluoropropylsulfonyl)propanamide is sourced from PubChem (CID 158541827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).