N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide

C131H126N22O18S2 — CID 160763262

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide (PubChem CID 160763262) has the molecular formula C131H126N22O18S2 and a molecular weight of 2360.72 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide
• PubChem CID: 160763262
• Molecular Formula: C131H126N22O18S2
• Molecular Weight: 2360.72 g/mol
• Exact Mass: 2358.91
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide
• SMILES: CC1CC(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)N(c2ccccc2)C1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)s1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1nccs1.Cc1cccc(-c2ccc(-n3nc(C)cc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cc2)c1.Cc1cnn(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nccn1-c1ccccc1
• InChI: InChI=1S/C28H26N4O3.C22H25N3O3.C22H20N2O3S.C21H20N4O3.C20H18N4O3.C18H17N5O3S/c1-18-7-6-10-22(15-18)21-11-13-23(14-12-21)32-25(16-19(2)31-32)28(35)30-24(26(33)27(29)34)17-20-8-4-3-5-9-20;1-15-12-19(25(14-15)17-10-6-3-7-11-17)22(28)24-18(20(26)21(23)27)13-16-8-4-2-5-9-16;1-14-12-17(20(28-14)16-10-6-3-7-11-16)22(27)24-18(19(25)21(23)26)13-15-8-4-2-5-9-15;1-14-13-23-25(16-10-6-3-7-11-16)18(14)21(28)24-17(19(26)20(22)27)12-15-8-4-2-5-9-15;21-18(26)17(25)16(13-14-7-3-1-4-8-14)23-20(27)19-22-11-12-24(19)15-9-5-2-6-10-15;1-11-9-14(22-23(11)18-20-7-8-27-18)17(26)21-13(15(24)16(19)25)10-12-5-3-2-4-6-12/h3-16,24H,17H2,1-2H3,(H2,29,34)(H,30,35);2-11,15,18-19H,12-14H2,1H3,(H2,23,27)(H,24,28);2-12,18H,13H2,1H3,(H2,23,26)(H,24,27);2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28);1-12,16H,13H2,(H2,21,26)(H,23,27);2-9,13H,10H2,1H3,(H2,19,25)(H,21,26)
• InChIKey: RYIUZXVMNOXTIC-UHFFFAOYSA-N
• XLogP: 12.23
• TPSA: 622.97 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 43
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2360.72
LogP ≤ 5	12.23
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

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-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide (CID 160763262) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide is CC1CC(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)N(c2ccccc2)C1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)s1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1nccs1.Cc1cccc(-c2ccc(-n3nc(C)cc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cc2)c1.Cc1cnn(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nccn1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide?

The InChIKey is RYIUZXVMNOXTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3.C22H25N3O3.C22H20N2O3S.C21H20N4O3.C20H18N4O3.C18H17N5O3S/c1-18-7-6-10-22(15-18)21-11-13-23(14-12-21)32-25(16-19(2)31-32)28(35)30-24(26(33)27(29)34)17-20-8-4-3-5-9-20;1-15-12-19(25(14-15)17-10-6-3-7-11-17)22(28)24-18(20(26)21(23)27)13-16-8-4-2-5-9-16;1-14-12-17(20(28-14)16-10-6-3-7-11-16)22(27)24-18(19(25)21(23)26)13-15-8-4-2-5-9-15;1-14-13-23-25(16-10-6-3-7-11-16)18(14)21(28)24-17(19(26)20(22)27)12-15-8-4-2-5-9-15;21-18(26)17(25)16(13-14-7-3-1-4-8-14)23-20(27)19-22-11-12-24(19)15-9-5-2-6-10-15;1-11-9-14(22-23(11)18-20-7-8-27-18)17(26)21-13(15(24)16(19)25)10-12-5-3-2-4-6-12/h3-16,24H,17H2,1-2H3,(H2,29,34)(H,30,35);2-11,15,18-19H,12-14H2,1H3,(H2,23,27)(H,24,28);2-12,18H,13H2,1H3,(H2,23,26)(H,24,27);2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28);1-12,16H,13H2,(H2,21,26)(H,23,27);2-9,13H,10H2,1H3,(H2,19,25)(H,21,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide has a molecular weight of 2360.72 g/mol, XLogP of 12.23, 43 rotatable bonds, 12 hydrogen bond donors, and 30 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-[4-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylpyrrolidine-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-phenylimidazole-2-carboxamide is sourced from PubChem (CID 160763262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).