N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide

C109H102F2N24O17 — CID 158426881

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 158426881) has the molecular formula C109H102F2N24O17 and a molecular weight of 2058.16 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
• PubChem CID: 158426881
• Molecular Formula: C109H102F2N24O17
• Molecular Weight: 2058.16 g/mol
• Exact Mass: 2056.78
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
• SMILES: Cn1cc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cn1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc3ccncc3c2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2coc3ccccc23)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C2CCOC2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2ccncc2c1
• InChI: InChI=1S/C24H19F2N5O3.C24H21N5O3.C23H20N4O4.C19H20N6O3.C19H22N4O4/c25-24(26)31-13-18(20(30-31)16-7-6-15-8-9-28-12-17(15)11-16)23(34)29-19(21(32)22(27)33)10-14-4-2-1-3-5-14;1-29-14-19(21(28-29)17-8-7-16-9-10-26-13-18(16)12-17)24(32)27-20(22(30)23(25)31)11-15-5-3-2-4-6-15;1-27-12-16(20(26-27)17-13-31-19-10-6-5-9-15(17)19)23(30)25-18(21(28)22(24)29)11-14-7-3-2-4-8-14;1-24-10-13(9-21-24)16-14(11-25(2)23-16)19(28)22-15(17(26)18(20)27)8-12-6-4-3-5-7-12;1-23-10-14(16(22-23)13-7-8-27-11-13)19(26)21-15(17(24)18(20)25)9-12-5-3-2-4-6-12/h1-9,11-13,19,24H,10H2,(H2,27,33)(H,29,34);2-10,12-14,20H,11H2,1H3,(H2,25,31)(H,27,32);2-10,12-13,18H,11H2,1H3,(H2,24,29)(H,25,30);3-7,9-11,15H,8H2,1-2H3,(H2,20,27)(H,22,28);2-6,10,13,15H,7-9,11H2,1H3,(H2,20,25)(H,21,26)
• InChIKey: HBDUCJNAWGABIN-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 601.37 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2058.16
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

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-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide (CID 158426881) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide is Cn1cc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cn1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc3ccncc3c2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2coc3ccccc23)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C2CCOC2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2ccncc2c1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?

The InChIKey is HBDUCJNAWGABIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3.C24H21N5O3.C23H20N4O4.C19H20N6O3.C19H22N4O4/c25-24(26)31-13-18(20(30-31)16-7-6-15-8-9-28-12-17(15)11-16)23(34)29-19(21(32)22(27)33)10-14-4-2-1-3-5-14;1-29-14-19(21(28-29)17-8-7-16-9-10-26-13-18(16)12-17)24(32)27-20(22(30)23(25)31)11-15-5-3-2-4-6-15;1-27-12-16(20(26-27)17-13-31-19-10-6-5-9-15(17)19)23(30)25-18(21(28)22(24)29)11-14-7-3-2-4-8-14;1-24-10-13(9-21-24)16-14(11-25(2)23-16)19(28)22-15(17(26)18(20)27)8-12-6-4-3-5-7-12;1-23-10-14(16(22-23)13-7-8-27-11-13)19(26)21-15(17(24)18(20)25)9-12-5-3-2-4-6-12/h1-9,11-13,19,24H,10H2,(H2,27,33)(H,29,34);2-10,12-14,20H,11H2,1H3,(H2,25,31)(H,27,32);2-10,12-13,18H,11H2,1H3,(H2,24,29)(H,25,30);3-7,9-11,15H,8H2,1-2H3,(H2,20,27)(H,22,28);2-6,10,13,15H,7-9,11H2,1H3,(H2,20,25)(H,21,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 2058.16 g/mol, XLogP of 7.68, 36 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1-benzofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-7-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-7-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 158426881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).