2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate

C99H103Cl9F4N30O8S4 — CID 158255652

About 2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate

2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate (PubChem CID 158255652) has the molecular formula C99H103Cl9F4N30O8S4 and a molecular weight of 2364.45 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate.

Molecular Properties

• Compound Name: 2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate
• PubChem CID: 158255652
• Molecular Formula: C99H103Cl9F4N30O8S4
• Molecular Weight: 2364.45 g/mol
• Exact Mass: 2358.46
• IUPAC Name: 2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate
• SMILES: CC(=O)Nc1cn(-c2cncc(F)c2)nc1C.CCC(Cl)C(=O)N(CC)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)C(Cl)CC(F)(F)F)c1cn(-c2cccnc2)cc1Cl.CCN(C(=O)CC/S(C)=N/C#N)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)SC)c1c(Cl)nn(-c2cccnc2)c1SC.CCN(C(=O)SC)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)c1ccc(Cl)cc1)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl
• InChI: InChI=1S/C19H17Cl2N5O2.C15H14Cl2F3N3O.C15H17ClN6OS.C14H16Cl2N4O.C13H15ClN4OS2.C12H13ClN4OS.C11H11FN4O/c1-3-25(18(27)13-6-8-14(20)9-7-13)19(28)24(2)16-12-26(23-17(16)21)15-5-4-10-22-11-15;1-2-23(14(24)11(16)6-15(18,19)20)13-9-22(8-12(13)17)10-4-3-5-21-7-10;1-3-21(14(23)6-8-24(2)19-11-17)13-10-22(20-15(13)16)12-5-4-7-18-9-12;1-3-11(15)14(21)19(4-2)12-9-20(18-13(12)16)10-6-5-7-17-8-10;1-4-17(13(19)21-3)10-11(14)16-18(12(10)20-2)9-6-5-7-15-8-9;1-3-16(12(18)19-2)10-8-17(15-11(10)13)9-5-4-6-14-7-9;1-7-11(14-8(2)17)6-16(15-7)10-3-9(12)4-13-5-10/h4-12H,3H2,1-2H3;3-5,7-9,11H,2,6H2,1H3;4-5,7,9-10H,3,6,8H2,1-2H3;5-9,11H,3-4H2,1-2H3;5-8H,4H2,1-3H3;4-8H,3H2,1-2H3;3-6H,1-2H3,(H,14,17)
• InChIKey: GHGFTFVJVIMRCO-UHFFFAOYSA-N
• XLogP: 23.45
• TPSA: 409.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2364.45
LogP ≤ 5	23.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate?

The IUPAC name of 2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate (CID 158255652) is 2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate.

What is the SMILES notation for 2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate?

The canonical SMILES for 2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate is CC(=O)Nc1cn(-c2cncc(F)c2)nc1C.CCC(Cl)C(=O)N(CC)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)C(Cl)CC(F)(F)F)c1cn(-c2cccnc2)cc1Cl.CCN(C(=O)CC/S(C)=N/C#N)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)SC)c1c(Cl)nn(-c2cccnc2)c1SC.CCN(C(=O)SC)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)c1ccc(Cl)cc1)C(=O)N(C)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of 2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate?

The InChIKey is GHGFTFVJVIMRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O2.C15H14Cl2F3N3O.C15H17ClN6OS.C14H16Cl2N4O.C13H15ClN4OS2.C12H13ClN4OS.C11H11FN4O/c1-3-25(18(27)13-6-8-14(20)9-7-13)19(28)24(2)16-12-26(23-17(16)21)15-5-4-10-22-11-15;1-2-23(14(24)11(16)6-15(18,19)20)13-9-22(8-12(13)17)10-4-3-5-21-7-10;1-3-21(14(23)6-8-24(2)19-11-17)13-10-22(20-15(13)16)12-5-4-7-18-9-12;1-3-11(15)14(21)19(4-2)12-9-20(18-13(12)16)10-6-5-7-17-8-10;1-4-17(13(19)21-3)10-11(14)16-18(12(10)20-2)9-6-5-7-15-8-9;1-3-16(12(18)19-2)10-8-17(15-11(10)13)9-5-4-6-14-7-9;1-7-11(14-8(2)17)6-16(15-7)10-3-9(12)4-13-5-10/h4-12H,3H2,1-2H3;3-5,7-9,11H,2,6H2,1H3;4-5,7,9-10H,3,6,8H2,1-2H3;5-9,11H,3-4H2,1-2H3;5-8H,4H2,1-3H3;4-8H,3H2,1-2H3;3-6H,1-2H3,(H,14,17).

What are the key properties of 2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate?

2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate has a molecular weight of 2364.45 g/mol, XLogP of 23.45, 29 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylbutanamide;4-chloro-N-[(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamoyl]-N-ethylbenzamide;2-chloro-N-(4-chloro-1-pyridin-3-ylpyrrol-3-yl)-N-ethyl-4,4,4-trifluorobutanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;S-methyl N-(3-chloro-5-methylsulfanyl-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate;S-methyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylcarbamothioate is sourced from PubChem (CID 158255652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).