N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide

C117H113ClN24O20S4 — CID 167707162

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 167707162) has the molecular formula C117H113ClN24O20S4 and a molecular weight of 2339.06 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide
• PubChem CID: 167707162
• Molecular Formula: C117H113ClN24O20S4
• Molecular Weight: 2339.06 g/mol
• Exact Mass: 2336.71
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide
• SMILES: Cc1ccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1ccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)s1.Cc1csc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(Cl)s2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccco2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccs2)n1
• InChI: InChI=1S/C20H20N4O4.2C20H20N4O3S.C19H17ClN4O3S.C19H18N4O4.C19H18N4O3S/c1-12-8-9-16(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;1-12-8-16(28-11-12)17-14(10-24(2)23-17)20(27)22-15(18(25)19(21)26)9-13-6-4-3-5-7-13;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;1-24-10-12(16(23-24)14-7-8-15(20)28-14)19(27)22-13(17(25)18(21)26)9-11-5-3-2-4-6-11;2*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/h3-9,11,15H,10H2,1-2H3,(H2,21,26)(H,22,27);3-8,10-11,15H,9H2,1-2H3,(H2,21,26)(H,22,27);3-9,11,15H,10H2,1-2H3,(H2,21,26)(H,22,27);2-8,10,13H,9H2,1H3,(H2,21,26)(H,22,27);2*2-9,11,14H,10H2,1H3,(H2,20,25)(H,21,26)
• InChIKey: ZGOVADDJPUDYLF-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 668.76 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2339.06
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

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-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 167707162) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide is Cc1ccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1ccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)s1.Cc1csc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(Cl)s2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccco2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccs2)n1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide?

The InChIKey is ZGOVADDJPUDYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4.2C20H20N4O3S.C19H17ClN4O3S.C19H18N4O4.C19H18N4O3S/c1-12-8-9-16(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;1-12-8-16(28-11-12)17-14(10-24(2)23-17)20(27)22-15(18(25)19(21)26)9-13-6-4-3-5-7-13;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;1-24-10-12(16(23-24)14-7-8-15(20)28-14)19(27)22-13(17(25)18(21)26)9-11-5-3-2-4-6-11;2*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/h3-9,11,15H,10H2,1-2H3,(H2,21,26)(H,22,27);3-8,10-11,15H,9H2,1-2H3,(H2,21,26)(H,22,27);3-9,11,15H,10H2,1-2H3,(H2,21,26)(H,22,27);2-8,10,13H,9H2,1H3,(H2,21,26)(H,22,27);2*2-9,11,14H,10H2,1H3,(H2,20,25)(H,21,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 2339.06 g/mol, XLogP of 9.91, 42 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-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)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 167707162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).