N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide

C123H114F7N21O14 — CID 159975561

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 159975561) has the molecular formula C123H114F7N21O14 and a molecular weight of 2243.38 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide
• PubChem CID: 159975561
• Molecular Formula: C123H114F7N21O14
• Molecular Weight: 2243.38 g/mol
• Exact Mass: 2241.87
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)n(-c2ccccc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)n(-c2ccccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)n(-c2cnccn2)n1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)CF)o1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc(F)c2F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)c(-c2ccccc2)n1
• InChI: InChI=1S/C21H18F2N4O3.2C21H20FN3O2.C21H19FN2O3.C20H19FN4O2.C19H18FN5O2/c1-27-11-14(18(26-27)13-8-5-9-15(22)17(13)23)21(30)25-16(19(28)20(24)29)10-12-6-3-2-4-7-12;1-25-14-17(20(24-25)16-10-6-3-7-11-16)21(27)23-18(19(26)13-22)12-15-8-4-2-5-9-15;1-15-12-19(25(24-15)17-10-6-3-7-11-17)21(27)23-18(20(26)14-22)13-16-8-4-2-5-9-16;1-14-23-19(16-10-6-3-7-11-16)20(27-14)21(26)24-17(18(25)13-22)12-15-8-4-2-5-9-15;1-14-11-17(25(24-14)19-9-5-6-10-22-19)20(27)23-16(18(26)13-21)12-15-7-3-2-4-8-15;1-13-9-16(25(24-13)18-12-21-7-8-22-18)19(27)23-15(17(26)11-20)10-14-5-3-2-4-6-14/h2-9,11,16H,10H2,1H3,(H2,24,29)(H,25,30);2-11,14,18H,12-13H2,1H3,(H,23,27);2-12,18H,13-14H2,1H3,(H,23,27);2-11,17H,12-13H2,1H3,(H,24,26);2-11,16H,12-13H2,1H3,(H,23,27);2-9,12,15H,10-11H2,1H3,(H,23,27)
• InChIKey: OFCMDLIJCSIHJD-UHFFFAOYSA-N
• XLogP: 15.62
• TPSA: 473.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 42
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2243.38
LogP ≤ 5	15.62
H-Bond Donors ≤ 5	7
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)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide (CID 159975561) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)n(-c2ccccc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)n(-c2ccccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)n(-c2cnccn2)n1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)CF)o1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc(F)c2F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)c(-c2ccccc2)n1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide?

The InChIKey is OFCMDLIJCSIHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O3.2C21H20FN3O2.C21H19FN2O3.C20H19FN4O2.C19H18FN5O2/c1-27-11-14(18(26-27)13-8-5-9-15(22)17(13)23)21(30)25-16(19(28)20(24)29)10-12-6-3-2-4-7-12;1-25-14-17(20(24-25)16-10-6-3-7-11-16)21(27)23-18(19(26)13-22)12-15-8-4-2-5-9-15;1-15-12-19(25(24-15)17-10-6-3-7-11-17)21(27)23-18(20(26)14-22)13-16-8-4-2-5-9-16;1-14-23-19(16-10-6-3-7-11-16)20(27-14)21(26)24-17(18(25)13-22)12-15-8-4-2-5-9-15;1-14-11-17(25(24-14)19-9-5-6-10-22-19)20(27)23-16(18(26)13-21)12-15-7-3-2-4-8-15;1-13-9-16(25(24-13)18-12-21-7-8-22-18)19(27)23-15(17(26)11-20)10-14-5-3-2-4-6-14/h2-9,11,16H,10H2,1H3,(H2,24,29)(H,25,30);2-11,14,18H,12-13H2,1H3,(H,23,27);2-12,18H,13-14H2,1H3,(H,23,27);2-11,17H,12-13H2,1H3,(H,24,26);2-11,16H,12-13H2,1H3,(H,23,27);2-9,12,15H,10-11H2,1H3,(H,23,27).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 2243.38 g/mol, XLogP of 15.62, 42 rotatable bonds, 7 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)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 159975561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).