N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide

C130H123BrFN26O21S+ — CID 159496583

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 159496583) has the molecular formula C130H123BrFN26O21S+ and a molecular weight of 2516.54 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-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-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide
• PubChem CID: 159496583
• Molecular Formula: C130H123BrFN26O21S+
• Molecular Weight: 2516.54 g/mol
• Exact Mass: 2513.82
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide
• SMILES: C[n+]1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)o1.Cc1cc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C)s1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(CCC(=O)c3ccc(F)cc3)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccccn2)n1.Cc1ccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Br)nn1-c1ncccn1
• InChI: InChI=1S/C30H27FN4O4.C21H22N4O3S.C21H19N3O4.C20H19N5O3.C20H20N4O4.C18H15BrN6O3/c1-19-17-26(30(39)33-25(28(37)29(32)38)18-21-5-3-2-4-6-21)35(34-19)24-14-7-20(8-15-24)9-16-27(36)22-10-12-23(31)13-11-22;1-12-9-15(13(2)29-12)18-16(11-25(3)24-18)21(28)23-17(19(26)20(22)27)10-14-7-5-4-6-8-14;1-24-13-16(19(28-24)15-10-6-3-7-11-15)21(27)23-17(18(25)20(22)26)12-14-8-4-2-5-9-14;1-13-11-16(25(24-13)17-9-5-6-10-22-17)20(28)23-15(18(26)19(21)27)12-14-7-3-2-4-8-14;1-12-8-9-16(28-12)17-14(11-24(2)23-17)20(27)22-15(18(25)19(21)26)10-13-6-4-3-5-7-13;19-14-10-13(25(24-14)18-21-7-4-8-22-18)17(28)23-12(15(26)16(20)27)9-11-5-2-1-3-6-11/h2-8,10-15,17,25H,9,16,18H2,1H3,(H2,32,38)(H,33,39);4-9,11,17H,10H2,1-3H3,(H2,22,27)(H,23,28);2-11,13,17H,12H2,1H3,(H2-,22,23,26,27);2-11,15H,12H2,1H3,(H2,21,27)(H,23,28);3-9,11,15H,10H2,1-2H3,(H2,21,26)(H,22,27);1-8,10,12H,9H2,(H2,20,27)(H,23,28)/p+1
• InChIKey: UDAVLKVLIFSYLX-UHFFFAOYSA-O
• XLogP: 10.03
• TPSA: 710.56 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 46
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2516.54
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-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-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide (CID 159496583) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-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-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-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-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide is C[n+]1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)o1.Cc1cc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C)s1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(CCC(=O)c3ccc(F)cc3)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccccn2)n1.Cc1ccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Br)nn1-c1ncccn1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide?

The InChIKey is UDAVLKVLIFSYLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H27FN4O4.C21H22N4O3S.C21H19N3O4.C20H19N5O3.C20H20N4O4.C18H15BrN6O3/c1-19-17-26(30(39)33-25(28(37)29(32)38)18-21-5-3-2-4-6-21)35(34-19)24-14-7-20(8-15-24)9-16-27(36)22-10-12-23(31)13-11-22;1-12-9-15(13(2)29-12)18-16(11-25(3)24-18)21(28)23-17(19(26)20(22)27)10-14-7-5-4-6-8-14;1-24-13-16(19(28-24)15-10-6-3-7-11-15)21(27)23-17(18(25)20(22)26)12-14-8-4-2-5-9-14;1-13-11-16(25(24-13)17-9-5-6-10-22-17)20(28)23-15(18(26)19(21)27)12-14-7-3-2-4-8-14;1-12-8-9-16(28-12)17-14(11-24(2)23-17)20(27)22-15(18(25)19(21)26)10-13-6-4-3-5-7-13;19-14-10-13(25(24-14)18-21-7-4-8-22-18)17(28)23-12(15(26)16(20)27)9-11-5-2-1-3-6-11/h2-8,10-15,17,25H,9,16,18H2,1H3,(H2,32,38)(H,33,39);4-9,11,17H,10H2,1-3H3,(H2,22,27)(H,23,28);2-11,13,17H,12H2,1H3,(H2-,22,23,26,27);2-11,15H,12H2,1H3,(H2,21,27)(H,23,28);3-9,11,15H,10H2,1-2H3,(H2,21,26)(H,22,27);1-8,10,12H,9H2,(H2,20,27)(H,23,28)/p+1.

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 2516.54 g/mol, XLogP of 10.03, 46 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-bromo-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,2-oxazol-2-ium-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 159496583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).