N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide

C88H106Cl6F3N21O6S5 — CID 158736278

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide (PubChem CID 158736278) has the molecular formula C88H106Cl6F3N21O6S5 and a molecular weight of 1984.00 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide.

Molecular Properties

• Compound Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide
• PubChem CID: 158736278
• Molecular Formula: C88H106Cl6F3N21O6S5
• Molecular Weight: 1984.00 g/mol
• Exact Mass: 1979.53
• IUPAC Name: N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide
• SMILES: CCN(C(=O)CC(CC(C)C)SC)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSC(C)=O)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCSc1ncc(C(F)(F)F)cc1Cl)c1cn(-c2cccnc2)nc1Cl.CSC(CC(=O)N(C)c1cn(-c2cccnc2)nc1Cl)CC(C)C.CSC(CC(=O)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl)CC(C)C
• InChI: InChI=1S/C20H27ClN4OS.C18H14Cl2F3N5OS.C18H25ClN4OS.C17H23ClN4OS.C15H17ClN4O2S/c1-14(2)9-17(27-3)10-19(26)24(12-15-6-7-15)18-13-25(23-20(18)21)16-5-4-8-22-11-16;1-27(14-10-28(26-16(14)20)12-3-2-5-24-9-12)15(29)4-6-30-17-13(19)7-11(8-25-17)18(21,22)23;1-5-22(17(24)10-15(25-4)9-13(2)3)16-12-23(21-18(16)19)14-7-6-8-20-11-14;1-12(2)8-14(24-4)9-16(23)21(3)15-11-22(20-17(15)18)13-6-5-7-19-10-13;1-3-19(14(22)6-8-23-11(2)21)13-10-20(18-15(13)16)12-5-4-7-17-9-12/h4-5,8,11,13-15,17H,6-7,9-10,12H2,1-3H3;2-3,5,7-10H,4,6H2,1H3;6-8,11-13,15H,5,9-10H2,1-4H3;5-7,10-12,14H,8-9H2,1-4H3;4-5,7,9-10H,3,6,8H2,1-2H3
• InChIKey: ILSJNKNSFSBRPO-UHFFFAOYSA-N
• XLogP: 21.40
• TPSA: 285.06 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1984.00
LogP ≤ 5	21.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide?

The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide (CID 158736278) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide.

What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide?

The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide is CCN(C(=O)CC(CC(C)C)SC)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCSC(C)=O)c1cn(-c2cccnc2)nc1Cl.CN(C(=O)CCSc1ncc(C(F)(F)F)cc1Cl)c1cn(-c2cccnc2)nc1Cl.CSC(CC(=O)N(C)c1cn(-c2cccnc2)nc1Cl)CC(C)C.CSC(CC(=O)N(CC1CC1)c1cn(-c2cccnc2)nc1Cl)CC(C)C.

What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide?

The InChIKey is ILSJNKNSFSBRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4OS.C18H14Cl2F3N5OS.C18H25ClN4OS.C17H23ClN4OS.C15H17ClN4O2S/c1-14(2)9-17(27-3)10-19(26)24(12-15-6-7-15)18-13-25(23-20(18)21)16-5-4-8-22-11-16;1-27(14-10-28(26-16(14)20)12-3-2-5-24-9-12)15(29)4-6-30-17-13(19)7-11(8-25-17)18(21,22)23;1-5-22(17(24)10-15(25-4)9-13(2)3)16-12-23(21-18(16)19)14-7-6-8-20-11-14;1-12(2)8-14(24-4)9-16(23)21(3)15-11-22(20-17(15)18)13-6-5-7-19-10-13;1-3-19(14(22)6-8-23-11(2)21)13-10-20(18-15(13)16)12-5-4-7-17-9-12/h4-5,8,11,13-15,17H,6-7,9-10,12H2,1-3H3;2-3,5,7-10H,4,6H2,1H3;6-8,11-13,15H,5,9-10H2,1-4H3;5-7,10-12,14H,8-9H2,1-4H3;4-5,7,9-10H,3,6,8H2,1-2H3.

What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide?

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide has a molecular weight of 1984.00 g/mol, XLogP of 21.40, 36 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)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-methylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-5-methyl-3-methylsulfanylhexanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,5-dimethyl-3-methylsulfanylhexanamide;S-[3-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-ethylamino]-3-oxopropyl] ethanethioate;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-5-methyl-3-methylsulfanylhexanamide is sourced from PubChem (CID 158736278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).