N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide

C105H91F3N22O17 — CID 164960980

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 164960980) has the molecular formula C105H91F3N22O17 and a molecular weight of 1990.01 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
• PubChem CID: 164960980
• Molecular Formula: C105H91F3N22O17
• Molecular Weight: 1990.01 g/mol
• Exact Mass: 1988.69
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
• SMILES: Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(C(F)(F)F)nc2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cnccn2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nonc1-c1ccccc1
• InChI: InChI=1S/C26H22N4O3.C21H18F3N5O3.C20H17N3O4.C19H18N6O3.C19H16N4O4/c27-25(32)24(31)22(16-18-10-4-1-5-11-18)28-26(33)21-17-30(20-14-8-3-9-15-20)29-23(21)19-12-6-2-7-13-19;1-29-11-14(17(28-29)13-7-8-16(26-10-13)21(22,23)24)20(32)27-15(18(30)19(25)31)9-12-5-3-2-4-6-12;21-19(25)18(24)16(11-13-7-3-1-4-8-13)22-20(26)15-12-27-23-17(15)14-9-5-2-6-10-14;1-25-11-13(16(24-25)15-10-21-7-8-22-15)19(28)23-14(17(26)18(20)27)9-12-5-3-2-4-6-12;20-18(25)17(24)14(11-12-7-3-1-4-8-12)21-19(26)16-15(22-27-23-16)13-9-5-2-6-10-13/h1-15,17,22H,16H2,(H2,27,32)(H,28,33);2-8,10-11,15H,9H2,1H3,(H2,25,31)(H,27,32);1-10,12,16H,11H2,(H2,21,25)(H,22,26);2-8,10-11,14H,9H2,1H3,(H2,20,27)(H,23,28);1-10,14H,11H2,(H2,20,25)(H,21,26)
• InChIKey: BVILJEOBVOJBMR-UHFFFAOYSA-N
• XLogP: 7.97
• TPSA: 603.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1990.01
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

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-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 164960980) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide is Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(C(F)(F)F)nc2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cnccn2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nonc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?

The InChIKey is BVILJEOBVOJBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3.C21H18F3N5O3.C20H17N3O4.C19H18N6O3.C19H16N4O4/c27-25(32)24(31)22(16-18-10-4-1-5-11-18)28-26(33)21-17-30(20-14-8-3-9-15-20)29-23(21)19-12-6-2-7-13-19;1-29-11-14(17(28-29)13-7-8-16(26-10-13)21(22,23)24)20(32)27-15(18(30)19(25)31)9-12-5-3-2-4-6-12;21-19(25)18(24)16(11-13-7-3-1-4-8-13)22-20(26)15-12-27-23-17(15)14-9-5-2-6-10-14;1-25-11-13(16(24-25)15-10-21-7-8-22-15)19(28)23-14(17(26)18(20)27)9-12-5-3-2-4-6-12;20-18(25)17(24)14(11-12-7-3-1-4-8-12)21-19(26)16-15(22-27-23-16)13-9-5-2-6-10-13/h1-15,17,22H,16H2,(H2,27,32)(H,28,33);2-8,10-11,15H,9H2,1H3,(H2,25,31)(H,27,32);1-10,12,16H,11H2,(H2,21,25)(H,22,26);2-8,10-11,14H,9H2,1H3,(H2,20,27)(H,23,28);1-10,14H,11H2,(H2,20,25)(H,21,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 1990.01 g/mol, XLogP of 7.97, 36 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1,3-diphenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1,2,5-oxadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 164960980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).