N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide

C116H133Cl7F19N29O11S7 — CID 159824100

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide (PubChem CID 159824100) has the molecular formula C116H133Cl7F19N29O11S7 and a molecular weight of 2943.13 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide
• PubChem CID: 159824100
• Molecular Formula: C116H133Cl7F19N29O11S7
• Molecular Weight: 2943.13 g/mol
• Exact Mass: 2937.63
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide
• SMILES: CC(CS(C)=O)C(=O)Nc1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCN(C)S(=O)(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCS/C=C/C(C)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(C)(F)F)c1cn(-c2cccnc2)nc1Cl.COCCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CC1CC1(F)F)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CCCF)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C18H18ClF5N4OS.C17H19ClF4N4OS.C17H21ClF3N5O3S.C17H20ClF3N4O2S.C17H21ClF2N4OS.C17H19ClF2N4OS.C13H15ClN4O2S/c19-16-14(11-28(26-16)13-2-1-5-25-9-13)27(10-12-8-17(12,20)21)15(29)3-6-30-7-4-18(22,23)24;18-16-14(12-26(24-16)13-3-1-7-23-11-13)25(8-2-6-19)15(27)4-9-28-10-5-17(20,21)22;1-3-25(14-12-26(23-16(14)18)13-5-4-8-22-11-13)15(27)6-9-24(2)30(28,29)10-7-17(19,20)21;1-27-8-7-24(15(26)4-9-28-10-5-17(19,20)21)14-12-25(23-16(14)18)13-3-2-6-22-11-13;2*1-3-23(15(25)6-9-26-10-7-17(2,19)20)14-12-24(22-16(14)18)13-5-4-8-21-11-13;1-9(8-21(2)20)13(19)16-11-7-18(17-12(11)14)10-4-3-5-15-6-10/h1-2,5,9,11-12H,3-4,6-8,10H2;1,3,7,11-12H,2,4-6,8-10H2;4-5,8,11-12H,3,6-7,9-10H2,1-2H3;2-3,6,11-12H,4-5,7-10H2,1H3;4-5,8,11-12H,3,6-7,9-10H2,1-2H3;4-5,7-8,10-12H,3,6,9H2,1-2H3;3-7,9H,8H2,1-2H3,(H,16,19)/b;;;;;10-7+
• InChIKey: NMPLJYMTYIEVBO-BAUIOCEQSA-N
• XLogP: 27.41
• TPSA: 429.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 60
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2943.13
LogP ≤ 5	27.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

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)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide (CID 159824100) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide is CC(CS(C)=O)C(=O)Nc1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCN(C)S(=O)(=O)CCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCS/C=C/C(C)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSCCC(C)(F)F)c1cn(-c2cccnc2)nc1Cl.COCCN(C(=O)CCSCCC(F)(F)F)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CC1CC1(F)F)c1cn(-c2cccnc2)nc1Cl.O=C(CCSCCC(F)(F)F)N(CCCF)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide?

The InChIKey is NMPLJYMTYIEVBO-BAUIOCEQSA-N. The full InChI is InChI=1S/C18H18ClF5N4OS.C17H19ClF4N4OS.C17H21ClF3N5O3S.C17H20ClF3N4O2S.C17H21ClF2N4OS.C17H19ClF2N4OS.C13H15ClN4O2S/c19-16-14(11-28(26-16)13-2-1-5-25-9-13)27(10-12-8-17(12,20)21)15(29)3-6-30-7-4-18(22,23)24;18-16-14(12-26(24-16)13-3-1-7-23-11-13)25(8-2-6-19)15(27)4-9-28-10-5-17(20,21)22;1-3-25(14-12-26(23-16(14)18)13-5-4-8-22-11-13)15(27)6-9-24(2)30(28,29)10-7-17(19,20)21;1-27-8-7-24(15(26)4-9-28-10-5-17(19,20)21)14-12-25(23-16(14)18)13-3-2-6-22-11-13;2*1-3-23(15(25)6-9-26-10-7-17(2,19)20)14-12-24(22-16(14)18)13-5-4-8-21-11-13;1-9(8-21(2)20)13(19)16-11-7-18(17-12(11)14)10-4-3-5-15-6-10/h1-2,5,9,11-12H,3-4,6-8,10H2;1,3,7,11-12H,2,4-6,8-10H2;4-5,8,11-12H,3,6-7,9-10H2,1-2H3;2-3,6,11-12H,4-5,7-10H2,1H3;4-5,8,11-12H,3,6-7,9-10H2,1-2H3;4-5,7-8,10-12H,3,6,9H2,1-2H3;3-7,9H,8H2,1-2H3,(H,16,19)/b;;;;;10-7+;.

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide has a molecular weight of 2943.13 g/mol, XLogP of 27.41, 60 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[(E)-3,3-difluorobut-1-enyl]sulfanyl-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(3,3-difluorobutylsulfanyl)-N-ethylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-[methyl(3,3,3-trifluoropropylsulfonyl)amino]propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(3-fluoropropyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methoxyethyl)-3-(3,3,3-trifluoropropylsulfanyl)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-methylsulfinylpropanamide is sourced from PubChem (CID 159824100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).