N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide

C151H137N27O18S2 — CID 158665468

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide (PubChem CID 158665468) has the molecular formula C151H137N27O18S2 and a molecular weight of 2682.06 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide
• PubChem CID: 158665468
• Molecular Formula: C151H137N27O18S2
• Molecular Weight: 2682.06 g/mol
• Exact Mass: 2680.01
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2cccc3ncccc23)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(-c3ccccc3)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(-c3ccccc3C)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nc(-c3ccccc3)cs2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1nc(-c2ccccc2)cs1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)[nH]1
• InChI: InChI=1S/C28H26N4O3.C27H25N5O3.C27H24N4O3.2C24H21N5O3S.C21H20N4O3/c1-18-9-6-7-14-23(18)21-12-8-13-22(17-21)32-25(15-19(2)31-32)28(35)30-24(26(33)27(29)34)16-20-10-4-3-5-11-20;1-17-15-24(32(31-17)23-11-5-10-21-20(23)9-6-14-28-21)26(34)30-22(16-18-7-3-2-4-8-18)25(33)27(35)29-19-12-13-19;1-18-16-24(27(34)29-23(25(32)26(28)33)17-19-8-4-2-5-9-19)31(30-18)22-14-12-21(13-15-22)20-10-6-3-7-11-20;1-15-12-20(29(28-15)24-27-19(14-33-24)17-10-6-3-7-11-17)23(32)26-18(21(30)22(25)31)13-16-8-4-2-5-9-16;1-15-12-19(28-29(15)24-27-20(14-33-24)17-10-6-3-7-11-17)23(32)26-18(21(30)22(25)31)13-16-8-4-2-5-9-16;1-13-23-17(15-10-6-3-7-11-15)18(24-13)21(28)25-16(19(26)20(22)27)12-14-8-4-2-5-9-14/h3-15,17,24H,16H2,1-2H3,(H2,29,34)(H,30,35);2-11,14-15,19,22H,12-13,16H2,1H3,(H,29,35)(H,30,34);2-16,23H,17H2,1H3,(H2,28,33)(H,29,34);2*2-12,14,18H,13H2,1H3,(H2,25,31)(H,26,32);2-11,16H,12H2,1H3,(H2,22,27)(H,23,24)(H,25,28)
• InChIKey: IDHHQEOTSNRZTC-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 678.02 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 34
• Rotatable Bonds: 47
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2682.06
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	13
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 N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide (CID 158665468) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2cccc3ncccc23)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(-c3ccccc3)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(-c3ccccc3C)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nc(-c3ccccc3)cs2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1nc(-c2ccccc2)cs1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)[nH]1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide?

The InChIKey is IDHHQEOTSNRZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3.C27H25N5O3.C27H24N4O3.2C24H21N5O3S.C21H20N4O3/c1-18-9-6-7-14-23(18)21-12-8-13-22(17-21)32-25(15-19(2)31-32)28(35)30-24(26(33)27(29)34)16-20-10-4-3-5-11-20;1-17-15-24(32(31-17)23-11-5-10-21-20(23)9-6-14-28-21)26(34)30-22(16-18-7-3-2-4-8-18)25(33)27(35)29-19-12-13-19;1-18-16-24(27(34)29-23(25(32)26(28)33)17-19-8-4-2-5-9-19)31(30-18)22-14-12-21(13-15-22)20-10-6-3-7-11-20;1-15-12-20(29(28-15)24-27-19(14-33-24)17-10-6-3-7-11-17)23(32)26-18(21(30)22(25)31)13-16-8-4-2-5-9-16;1-15-12-19(28-29(15)24-27-20(14-33-24)17-10-6-3-7-11-17)23(32)26-18(21(30)22(25)31)13-16-8-4-2-5-9-16;1-13-23-17(15-10-6-3-7-11-15)18(24-13)21(28)25-16(19(26)20(22)27)12-14-8-4-2-5-9-14/h3-15,17,24H,16H2,1-2H3,(H2,29,34)(H,30,35);2-11,14-15,19,22H,12-13,16H2,1H3,(H,29,35)(H,30,34);2-16,23H,17H2,1H3,(H2,28,33)(H,29,34);2*2-12,14,18H,13H2,1H3,(H2,25,31)(H,26,32);2-11,16H,12H2,1H3,(H2,22,27)(H,23,24)(H,25,28).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide has a molecular weight of 2682.06 g/mol, XLogP of 16.89, 47 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(2-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1H-imidazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide is sourced from PubChem (CID 158665468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).