3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide

C128H123ClF7N25O21S — CID 167557561

About 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide

3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 167557561) has the molecular formula C128H123ClF7N25O21S and a molecular weight of 2548.05 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide
• PubChem CID: 167557561
• Molecular Formula: C128H123ClF7N25O21S
• Molecular Weight: 2548.05 g/mol
• Exact Mass: 2545.86
• IUPAC Name: 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide
• SMILES: CC(=O)N1CCCC(c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)C1.COc1ccc(F)c(-c2oncc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NC(Cc2cccc(C(F)(F)F)c2)C(=O)C(N)=O)c(-c2ccccc2F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(Cl)s2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C2CCCC2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2ncccc2c1
• InChI: InChI=1S/C24H19F2N5O3.C22H18F4N4O3.C22H27N5O4.C21H18FN3O5.C20H24N4O3.C19H17ClN4O3S/c25-24(26)31-13-17(20(30-31)16-8-9-18-15(12-16)7-4-10-28-18)23(34)29-19(21(32)22(27)33)11-14-5-2-1-3-6-14;1-30-11-15(18(29-30)14-7-2-3-8-16(14)23)21(33)28-17(19(31)20(27)32)10-12-5-4-6-13(9-12)22(24,25)26;1-14(28)27-10-6-9-16(12-27)19-17(13-26(2)25-19)22(31)24-18(20(29)21(23)30)11-15-7-4-3-5-8-15;1-29-13-7-8-16(22)14(10-13)19-15(11-24-30-19)21(28)25-17(18(26)20(23)27)9-12-5-3-2-4-6-12;1-24-12-15(17(23-24)14-9-5-6-10-14)20(27)22-16(18(25)19(21)26)11-13-7-3-2-4-8-13;1-24-10-12(16(23-24)14-7-8-15(20)28-14)19(27)22-13(17(25)18(21)26)9-11-5-3-2-4-6-11/h1-10,12-13,19,24H,11H2,(H2,27,33)(H,29,34);2-9,11,17H,10H2,1H3,(H2,27,32)(H,28,33);3-5,7-8,13,16,18H,6,9-12H2,1-2H3,(H2,23,30)(H,24,31);2-8,10-11,17H,9H2,1H3,(H2,23,27)(H,25,28);2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H2,21,26)(H,22,27);2-8,10,13H,9H2,1H3,(H2,21,26)(H,22,27)
• InChIKey: DFCAEEUAAGCOBQ-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 693.12 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 44
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2548.05
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide?

The IUPAC name of 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide (CID 167557561) is 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide.

What is the SMILES notation for 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide?

The canonical SMILES for 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide is CC(=O)N1CCCC(c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)C1.COc1ccc(F)c(-c2oncc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NC(Cc2cccc(C(F)(F)F)c2)C(=O)C(N)=O)c(-c2ccccc2F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(Cl)s2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C2CCCC2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2ncccc2c1.

What is the InChIKey of 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide?

The InChIKey is DFCAEEUAAGCOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3.C22H18F4N4O3.C22H27N5O4.C21H18FN3O5.C20H24N4O3.C19H17ClN4O3S/c25-24(26)31-13-17(20(30-31)16-8-9-18-15(12-16)7-4-10-28-18)23(34)29-19(21(32)22(27)33)11-14-5-2-1-3-6-14;1-30-11-15(18(29-30)14-7-2-3-8-16(14)23)21(33)28-17(19(31)20(27)32)10-12-5-4-6-13(9-12)22(24,25)26;1-14(28)27-10-6-9-16(12-27)19-17(13-26(2)25-19)22(31)24-18(20(29)21(23)30)11-15-7-4-3-5-8-15;1-29-13-7-8-16(22)14(10-13)19-15(11-24-30-19)21(28)25-17(18(26)20(23)27)9-12-5-3-2-4-6-12;1-24-12-15(17(23-24)14-9-5-6-10-14)20(27)22-16(18(25)19(21)26)11-13-7-3-2-4-8-13;1-24-10-12(16(23-24)14-7-8-15(20)28-14)19(27)22-13(17(25)18(21)26)9-11-5-3-2-4-6-11/h1-10,12-13,19,24H,11H2,(H2,27,33)(H,29,34);2-9,11,17H,10H2,1H3,(H2,27,32)(H,28,33);3-5,7-8,13,16,18H,6,9-12H2,1-2H3,(H2,23,30)(H,24,31);2-8,10-11,17H,9H2,1H3,(H2,23,27)(H,25,28);2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H2,21,26)(H,22,27);2-8,10,13H,9H2,1H3,(H2,21,26)(H,22,27).

What are the key properties of 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide?

3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 2548.05 g/mol, XLogP of 11.63, 44 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclopentyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 167557561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).