N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide

C108H111Cl3F6N32O8S3 — CID 160503831

About N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide

N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide (PubChem CID 160503831) has the molecular formula C108H111Cl3F6N32O8S3 and a molecular weight of 2301.84 g/mol. Its IUPAC name is N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide
• PubChem CID: 160503831
• Molecular Formula: C108H111Cl3F6N32O8S3
• Molecular Weight: 2301.84 g/mol
• Exact Mass: 2298.74
• IUPAC Name: N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide
• SMILES: CC(=O)N(Cc1ccccc1)c1cn(-c2cncc(F)c2)nc1C.CC(=O)Nc1cn(-c2cncc(F)c2)nc1C.CC(=S)N(Cc1ccccc1)c1cn(-c2cncc(F)c2)nc1C.CC(C)C(=O)N(C(=O)C1CC1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)/C=C/C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC/S(C)=N/C#N)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCS(C)(=O)=NC#N)c1cn(-c2cccnc2)nc1C
• InChI: InChI=1S/C18H17FN4O.C18H17FN4S.C16H17ClN4O2.C16H20N6O2S.C15H17ClN6OS.C14H12ClF3N4O.C11H11FN4O/c2*1-13-18(12-23(21-13)17-8-16(19)9-20-10-17)22(14(2)24)11-15-6-4-3-5-7-15;1-10(2)15(22)21(16(23)11-5-6-11)13-9-20(19-14(13)17)12-4-3-7-18-8-12;1-4-21(16(23)7-9-25(3,24)19-12-17)15-11-22(20-13(15)2)14-6-5-8-18-10-14;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;1-2-21(12(23)5-6-14(16,17)18)11-9-22(20-13(11)15)10-4-3-7-19-8-10;1-7-11(14-8(2)17)6-16(15-7)10-3-9(12)4-13-5-10/h2*3-10,12H,11H2,1-2H3;3-4,7-11H,5-6H2,1-2H3;5-6,8,10-11H,4,7,9H2,1-3H3;4-5,7,9-10H,3,6,8H2,1-2H3;3-9H,2H2,1H3;3-6H,1-2H3,(H,14,17)/b;;;;;6-5+
• InChIKey: QSCZMFWVXIBYID-HLDJWKBUSA-N
• XLogP: 19.72
• TPSA: 455.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2301.84
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide?

The IUPAC name of N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide (CID 160503831) is N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide.

What is the SMILES notation for N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide?

The canonical SMILES for N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide is CC(=O)N(Cc1ccccc1)c1cn(-c2cncc(F)c2)nc1C.CC(=O)Nc1cn(-c2cncc(F)c2)nc1C.CC(=S)N(Cc1ccccc1)c1cn(-c2cncc(F)c2)nc1C.CC(C)C(=O)N(C(=O)C1CC1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)/C=C/C(F)(F)F)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC/S(C)=N/C#N)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCS(C)(=O)=NC#N)c1cn(-c2cccnc2)nc1C.

What is the InChIKey of N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide?

The InChIKey is QSCZMFWVXIBYID-HLDJWKBUSA-N. The full InChI is InChI=1S/C18H17FN4O.C18H17FN4S.C16H17ClN4O2.C16H20N6O2S.C15H17ClN6OS.C14H12ClF3N4O.C11H11FN4O/c2*1-13-18(12-23(21-13)17-8-16(19)9-20-10-17)22(14(2)24)11-15-6-4-3-5-7-15;1-10(2)15(22)21(16(23)11-5-6-11)13-9-20(19-14(13)17)12-4-3-7-18-8-12;1-4-21(16(23)7-9-25(3,24)19-12-17)15-11-22(20-13(15)2)14-6-5-8-18-10-14;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;1-2-21(12(23)5-6-14(16,17)18)11-9-22(20-13(11)15)10-4-3-7-19-8-10;1-7-11(14-8(2)17)6-16(15-7)10-3-9(12)4-13-5-10/h2*3-10,12H,11H2,1-2H3;3-4,7-11H,5-6H2,1-2H3;5-6,8,10-11H,4,7,9H2,1-3H3;4-5,7,9-10H,3,6,8H2,1-2H3;3-9H,2H2,1H3;3-6H,1-2H3,(H,14,17)/b;;;;;6-5+;.

What are the key properties of N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide?

N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide has a molecular weight of 2301.84 g/mol, XLogP of 19.72, 30 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide;N-benzyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]ethanethioamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-3-(N-cyano-S-methylsulfinimidoyl)-N-ethylpropanamide;(E)-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(2-methylpropanoyl)cyclopropanecarboxamide;3-(N-cyano-S-methylsulfonimidoyl)-N-ethyl-N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)propanamide;N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]acetamide is sourced from PubChem (CID 160503831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).