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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide

C108H102BrFN22O18S — CID 162099738

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)-3-(furan-2-yl)-1-methylpyrazole-4-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)-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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide (PubChem CID 162099738) has the molecular formula C108H102BrFN22O18S and a molecular weight of 2127.11 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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide
• PubChem CID: 162099738
• Molecular Formula: C108H102BrFN22O18S
• Molecular Weight: 2127.11 g/mol
• Exact Mass: 2124.66
• 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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide
• SMILES: 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.Cc1ccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccco2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Br)nn1-c1ncccn1
• InChI: InChI=1S/C30H27FN4O4.C21H22N4O3S.C20H20N4O4.C19H18N4O4.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;1-12-8-9-16(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;1-23-11-13(16(22-23)15-8-5-9-27-15)19(26)21-14(17(24)18(20)25)10-12-6-3-2-4-7-12;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);3-9,11,15H,10H2,1-2H3,(H2,21,26)(H,22,27);2-9,11,14H,10H2,1H3,(H2,20,25)(H,21,26);1-8,10,12H,9H2,(H2,20,27)(H,23,28)
• InChIKey: ZESJAYTWBOCVJF-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 604.53 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 39
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2127.11
LogP ≤ 5	8.97
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-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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide (CID 162099738) 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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide is 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.Cc1ccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccco2)n1.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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide?

The InChIKey is ZESJAYTWBOCVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O4.C21H22N4O3S.C20H20N4O4.C19H18N4O4.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;1-12-8-9-16(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;1-23-11-13(16(22-23)15-8-5-9-27-15)19(26)21-14(17(24)18(20)25)10-12-6-3-2-4-7-12;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);3-9,11,15H,10H2,1-2H3,(H2,21,26)(H,22,27);2-9,11,14H,10H2,1H3,(H2,20,25)(H,21,26);1-8,10,12H,9H2,(H2,20,27)(H,23,28).

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)-3-(furan-2-yl)-1-methylpyrazole-4-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)-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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide has a molecular weight of 2127.11 g/mol, XLogP of 8.97, 39 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-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)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 162099738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).