N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide

C115H96F2N22O16S — CID 160554291

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 160554291) has the molecular formula C115H96F2N22O16S and a molecular weight of 2112.23 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• PubChem CID: 160554291
• Molecular Formula: C115H96F2N22O16S
• Molecular Weight: 2112.23 g/mol
• Exact Mass: 2110.71
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• SMILES: Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-n2ncc3ccccc32)n1.NC(=O)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1nsnc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(-c2cccc(F)c2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1
• InChI: InChI=1S/2C26H21FN4O3.C22H20N6O3.C21H17N5O3S.C20H17N3O4/c27-19-12-7-13-20(15-19)31-16-21(23(30-31)18-10-5-2-6-11-18)26(34)29-22(24(32)25(28)33)14-17-8-3-1-4-9-17;27-19-11-13-20(14-12-19)31-16-21(23(30-31)18-9-5-2-6-10-18)26(34)29-22(24(32)25(28)33)15-17-7-3-1-4-8-17;1-27-13-16(21(26-27)28-18-10-6-5-9-15(18)12-24-28)22(31)25-17(19(29)20(23)30)11-14-7-3-2-4-8-14;22-20(28)19(27)16(10-13-11-23-15-9-5-4-8-14(13)15)24-21(29)18-17(25-30-26-18)12-6-2-1-3-7-12;21-19(25)17(24)16(11-13-7-3-1-4-8-13)23-20(26)15-12-22-27-18(15)14-9-5-2-6-10-14/h1-13,15-16,22H,14H2,(H2,28,33)(H,29,34);1-14,16,22H,15H2,(H2,28,33)(H,29,34);2-10,12-13,17H,11H2,1H3,(H2,23,30)(H,25,31);1-9,11,16,23H,10H2,(H2,22,28)(H,24,29);1-10,12,16H,11H2,(H2,21,25)(H,23,26)
• InChIKey: QYMALMLWGLBQJH-UHFFFAOYSA-N
• XLogP: 11.12
• TPSA: 585.18 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 37
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2112.23
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

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)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide (CID 160554291) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide is Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-n2ncc3ccccc32)n1.NC(=O)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1nsnc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(-c2cccc(F)c2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The InChIKey is QYMALMLWGLBQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H21FN4O3.C22H20N6O3.C21H17N5O3S.C20H17N3O4/c27-19-12-7-13-20(15-19)31-16-21(23(30-31)18-10-5-2-6-11-18)26(34)29-22(24(32)25(28)33)14-17-8-3-1-4-9-17;27-19-11-13-20(14-12-19)31-16-21(23(30-31)18-9-5-2-6-10-18)26(34)29-22(24(32)25(28)33)15-17-7-3-1-4-8-17;1-27-13-16(21(26-27)28-18-10-6-5-9-15(18)12-24-28)22(31)25-17(19(29)20(23)30)11-14-7-3-2-4-8-14;22-20(28)19(27)16(10-13-11-23-15-9-5-4-8-14(13)15)24-21(29)18-17(25-30-26-18)12-6-2-1-3-7-12;21-19(25)17(24)16(11-13-7-3-1-4-8-13)23-20(26)15-12-22-27-18(15)14-9-5-2-6-10-14/h1-13,15-16,22H,14H2,(H2,28,33)(H,29,34);1-14,16,22H,15H2,(H2,28,33)(H,29,34);2-10,12-13,17H,11H2,1H3,(H2,23,30)(H,25,31);1-9,11,16,23H,10H2,(H2,22,28)(H,24,29);1-10,12,16H,11H2,(H2,21,25)(H,23,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 2112.23 g/mol, XLogP of 11.12, 37 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 160554291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).