N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide

C124H108F3N17O17 — CID 161080813

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 161080813) has the molecular formula C124H108F3N17O17 and a molecular weight of 2165.32 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
• PubChem CID: 161080813
• Molecular Formula: C124H108F3N17O17
• Molecular Weight: 2165.32 g/mol
• Exact Mass: 2163.81
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(-c3ccc(F)cc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(-c3cccc(F)c3)c2)n1.Cc1cccc(-c2cccc(-n3nc(C)cc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)c2)c1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccc(F)cc2)C(=O)C(N)=O)o1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1occc1-c1ccccc1
• InChI: InChI=1S/C28H26N4O3.2C27H23FN4O3.C21H18FN3O4.C21H18N2O4/c1-18-8-6-11-21(14-18)22-12-7-13-23(17-22)32-25(15-19(2)31-32)28(35)30-24(26(33)27(29)34)16-20-9-4-3-5-10-20;1-17-13-24(27(35)30-23(25(33)26(29)34)14-18-7-3-2-4-8-18)32(31-17)22-12-6-10-20(16-22)19-9-5-11-21(28)15-19;1-17-14-24(27(35)30-23(25(33)26(29)34)15-18-6-3-2-4-7-18)32(31-17)22-9-5-8-20(16-22)19-10-12-21(28)13-11-19;1-12-24-17(14-5-3-2-4-6-14)19(29-12)21(28)25-16(18(26)20(23)27)11-13-7-9-15(22)10-8-13;22-20(25)18(24)17(13-14-7-3-1-4-8-14)23-21(26)19-16(11-12-27-19)15-9-5-2-6-10-15/h3-15,17,24H,16H2,1-2H3,(H2,29,34)(H,30,35);2-13,15-16,23H,14H2,1H3,(H2,29,34)(H,30,35);2-14,16,23H,15H2,1H3,(H2,29,34)(H,30,35);2-10,16H,11H2,1H3,(H2,23,27)(H,25,28);1-12,17H,13H2,(H2,22,25)(H,23,26)
• InChIKey: UFWREWOAXGTPNF-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 538.93 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 38
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2165.32
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

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)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide (CID 161080813) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(-c3ccc(F)cc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(-c3cccc(F)c3)c2)n1.Cc1cccc(-c2cccc(-n3nc(C)cc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)c2)c1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccc(F)cc2)C(=O)C(N)=O)o1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1occc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?

The InChIKey is UFWREWOAXGTPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3.2C27H23FN4O3.C21H18FN3O4.C21H18N2O4/c1-18-8-6-11-21(14-18)22-12-7-13-23(17-22)32-25(15-19(2)31-32)28(35)30-24(26(33)27(29)34)16-20-9-4-3-5-10-20;1-17-13-24(27(35)30-23(25(33)26(29)34)14-18-7-3-2-4-8-18)32(31-17)22-12-6-10-20(16-22)19-9-5-11-21(28)15-19;1-17-14-24(27(35)30-23(25(33)26(29)34)15-18-6-3-2-4-7-18)32(31-17)22-9-5-8-20(16-22)19-10-12-21(28)13-11-19;1-12-24-17(14-5-3-2-4-6-14)19(29-12)21(28)25-16(18(26)20(23)27)11-13-7-9-15(22)10-8-13;22-20(25)18(24)17(13-14-7-3-1-4-8-14)23-21(26)19-16(11-12-27-19)15-9-5-2-6-10-15/h3-15,17,24H,16H2,1-2H3,(H2,29,34)(H,30,35);2-13,15-16,23H,14H2,1H3,(H2,29,34)(H,30,35);2-14,16,23H,15H2,1H3,(H2,29,34)(H,30,35);2-10,16H,11H2,1H3,(H2,23,27)(H,25,28);1-12,17H,13H2,(H2,22,25)(H,23,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 2165.32 g/mol, XLogP of 14.84, 38 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(3-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(3-methylphenyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenylfuran-2-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 161080813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).