N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide

C127H117F4N27O16 — CID 167617685

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 167617685) has the molecular formula C127H117F4N27O16 and a molecular weight of 2353.50 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide
• PubChem CID: 167617685
• Molecular Formula: C127H117F4N27O16
• Molecular Weight: 2353.50 g/mol
• Exact Mass: 2351.91
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-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.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(C#N)nc2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc(F)c2F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2n[nH]c3ccccc23)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(Cc2ccccc2)n1
• InChI: InChI=1S/C22H20N6O3.C22H22N4O3.C21H18F2N4O3.C21H20FN3O2.C21H18N6O3.C20H19FN4O2/c1-28-12-15(19(27-28)18-14-9-5-6-10-16(14)25-26-18)22(31)24-17(20(29)21(23)30)11-13-7-3-2-4-8-13;1-26-14-17(18(25-26)12-15-8-4-2-5-9-15)22(29)24-19(20(27)21(23)28)13-16-10-6-3-7-11-16;1-27-11-14(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;1-15-12-19(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;1-27-12-16(18(26-27)14-7-8-15(10-22)24-11-14)21(30)25-17(19(28)20(23)29)9-13-5-3-2-4-6-13;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/h2-10,12,17H,11H2,1H3,(H2,23,30)(H,24,31)(H,25,26);2-11,14,19H,12-13H2,1H3,(H2,23,28)(H,24,29);2-9,11,16H,10H2,1H3,(H2,24,29)(H,25,30);2-12,18H,13-14H2,1H3,(H,23,27);2-8,11-12,17H,9H2,1H3,(H2,23,29)(H,25,30);2-11,16H,12-13H2,1H3,(H,23,27)
• InChIKey: LZEGOSVOMQGILK-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 634.55 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 43
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2353.50
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

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-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide (CID 167617685) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-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.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(C#N)nc2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc(F)c2F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2n[nH]c3ccccc23)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(Cc2ccccc2)n1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide?

The InChIKey is LZEGOSVOMQGILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3.C22H22N4O3.C21H18F2N4O3.C21H20FN3O2.C21H18N6O3.C20H19FN4O2/c1-28-12-15(19(27-28)18-14-9-5-6-10-16(14)25-26-18)22(31)24-17(20(29)21(23)30)11-13-7-3-2-4-8-13;1-26-14-17(18(25-26)12-15-8-4-2-5-9-15)22(29)24-19(20(27)21(23)28)13-16-10-6-3-7-11-16;1-27-11-14(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;1-15-12-19(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;1-27-12-16(18(26-27)14-7-8-15(10-22)24-11-14)21(30)25-17(19(28)20(23)29)9-13-5-3-2-4-6-13;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/h2-10,12,17H,11H2,1H3,(H2,23,30)(H,24,31)(H,25,26);2-11,14,19H,12-13H2,1H3,(H2,23,28)(H,24,29);2-9,11,16H,10H2,1H3,(H2,24,29)(H,25,30);2-12,18H,13-14H2,1H3,(H,23,27);2-8,11-12,17H,9H2,1H3,(H2,23,29)(H,25,30);2-11,16H,12-13H2,1H3,(H,23,27).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 2353.50 g/mol, XLogP of 10.79, 43 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1H-indazol-3-yl)-1-methylpyrazole-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-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 167617685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).