2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate

C160H156N30O25 — CID 167616335

About 2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate

2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate (PubChem CID 167616335) has the molecular formula C160H156N30O25 and a molecular weight of 2899.19 g/mol. Its IUPAC name is 2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: 2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate
• PubChem CID: 167616335
• Molecular Formula: C160H156N30O25
• Molecular Weight: 2899.19 g/mol
• Exact Mass: 2897.19
• IUPAC Name: 2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate
• SMILES: CC(=O)NCc1cccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.COC(=O)NCc1cccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(CNC(=O)CCc3ccccc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(CNC(=O)Cc3ccccc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(CNC(=O)c3ccccc3)c2)n1.Cc1noc(-n2cc3ccccc3n2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O
• InChI: InChI=1S/C31H31N5O4.C30H29N5O4.C29H27N5O4.C24H25N5O5.C24H25N5O4.C22H19N5O4/c1-21-17-27(31(40)34-26(29(38)30(32)39)19-23-11-6-3-7-12-23)36(35-21)25-14-8-13-24(18-25)20-33-28(37)16-15-22-9-4-2-5-10-22;1-20-15-26(30(39)33-25(28(37)29(31)38)17-21-9-4-2-5-10-21)35(34-20)24-14-8-13-23(16-24)19-32-27(36)18-22-11-6-3-7-12-22;1-19-15-25(29(38)32-24(26(35)27(30)36)17-20-9-4-2-5-10-20)34(33-19)23-14-8-11-21(16-23)18-31-28(37)22-12-6-3-7-13-22;1-15-11-20(29(28-15)18-10-6-9-17(12-18)14-26-24(33)34-2)23(32)27-19(21(30)22(25)31)13-16-7-4-3-5-8-16;1-15-11-21(29(28-15)19-10-6-9-18(12-19)14-26-16(2)30)24(33)27-20(22(31)23(25)32)13-17-7-4-3-5-8-17;1-13-18(22(31-26-13)27-12-15-9-5-6-10-16(15)25-27)21(30)24-17(19(28)20(23)29)11-14-7-3-2-4-8-14/h2-14,17-18,26H,15-16,19-20H2,1H3,(H2,32,39)(H,33,37)(H,34,40);2-16,25H,17-19H2,1H3,(H2,31,38)(H,32,36)(H,33,39);2-16,24H,17-18H2,1H3,(H2,30,36)(H,31,37)(H,32,38);3-12,19H,13-14H2,1-2H3,(H2,25,31)(H,26,33)(H,27,32);3-12,20H,13-14H2,1-2H3,(H2,25,32)(H,26,30)(H,27,33);2-10,12,17H,11H2,1H3,(H2,23,29)(H,24,30)
• InChIKey: LUGQBRBCSIIZGO-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 823.24 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 38
• Rotatable Bonds: 58
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2899.19
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate?

The IUPAC name of 2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate (CID 167616335) is 2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate.

What is the SMILES notation for 2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate?

The canonical SMILES for 2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate is CC(=O)NCc1cccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.COC(=O)NCc1cccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(CNC(=O)CCc3ccccc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(CNC(=O)Cc3ccccc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(CNC(=O)c3ccccc3)c2)n1.Cc1noc(-n2cc3ccccc3n2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.

What is the InChIKey of 2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate?

The InChIKey is LUGQBRBCSIIZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O4.C30H29N5O4.C29H27N5O4.C24H25N5O5.C24H25N5O4.C22H19N5O4/c1-21-17-27(31(40)34-26(29(38)30(32)39)19-23-11-6-3-7-12-23)36(35-21)25-14-8-13-24(18-25)20-33-28(37)16-15-22-9-4-2-5-10-22;1-20-15-26(30(39)33-25(28(37)29(31)38)17-21-9-4-2-5-10-21)35(34-20)24-14-8-13-23(16-24)19-32-27(36)18-22-11-6-3-7-12-22;1-19-15-25(29(38)32-24(26(35)27(30)36)17-20-9-4-2-5-10-20)34(33-19)23-14-8-11-21(16-23)18-31-28(37)22-12-6-3-7-13-22;1-15-11-20(29(28-15)18-10-6-9-17(12-18)14-26-24(33)34-2)23(32)27-19(21(30)22(25)31)13-16-7-4-3-5-8-16;1-15-11-21(29(28-15)19-10-6-9-18(12-19)14-26-16(2)30)24(33)27-20(22(31)23(25)32)13-17-7-4-3-5-8-17;1-13-18(22(31-26-13)27-12-15-9-5-6-10-16(15)25-27)21(30)24-17(19(28)20(23)29)11-14-7-3-2-4-8-14/h2-14,17-18,26H,15-16,19-20H2,1H3,(H2,32,39)(H,33,37)(H,34,40);2-16,25H,17-19H2,1H3,(H2,31,38)(H,32,36)(H,33,39);2-16,24H,17-18H2,1H3,(H2,30,36)(H,31,37)(H,32,38);3-12,19H,13-14H2,1-2H3,(H2,25,31)(H,26,33)(H,27,32);3-12,20H,13-14H2,1-2H3,(H2,25,32)(H,26,30)(H,27,33);2-10,12,17H,11H2,1H3,(H2,23,29)(H,24,30).

What are the key properties of 2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate?

2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate has a molecular weight of 2899.19 g/mol, XLogP of 12.13, 58 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(benzamidomethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-indazol-2-yl-3-methyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-[(3-phenylpropanoylamino)methyl]phenyl]pyrazole-3-carboxamide;methyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 167616335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).