3-(5-chlorothiophen-2-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide;methane

C124H123ClN18O20S4 — CID 157377884

About 3-(5-chlorothiophen-2-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide;methane

3-(5-chlorothiophen-2-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide;methane (PubChem CID 157377884) has the molecular formula C124H123ClN18O20S4 and a molecular weight of 2349.17 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide;methane.

Molecular Properties

• Compound Name: 3-(5-chlorothiophen-2-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide;methane
• PubChem CID: 157377884
• Molecular Formula: C124H123ClN18O20S4
• Molecular Weight: 2349.17 g/mol
• Exact Mass: 2346.77
• IUPAC Name: 3-(5-chlorothiophen-2-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide;methane
• SMILES: C.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1cc(C)cs1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccc(C)o1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccc(C)s1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccc(Cl)s1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccco1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1cccs1
• InChI: InChI=1S/C21H21N3O4.2C21H21N3O3S.C20H18ClN3O3S.C20H19N3O4.C20H19N3O3S.CH4/c1-13-9-10-18(28-13)19-16(12-24(3)23-19)21(27)22-17(20(26)14(2)25)11-15-7-5-4-6-8-15;1-13-9-18(28-12-13)19-16(11-24(3)23-19)21(27)22-17(20(26)14(2)25)10-15-7-5-4-6-8-15;1-13-9-10-18(28-13)19-16(12-24(3)23-19)21(27)22-17(20(26)14(2)25)11-15-7-5-4-6-8-15;1-12(25)19(26)15(10-13-6-4-3-5-7-13)22-20(27)14-11-24(2)23-18(14)16-8-9-17(21)28-16;2*1-13(24)19(25)16(11-14-7-4-3-5-8-14)21-20(26)15-12-23(2)22-18(15)17-9-6-10-27-17;/h4-10,12,17H,11H2,1-3H3,(H,22,27);4-9,11-12,17H,10H2,1-3H3,(H,22,27);4-10,12,17H,11H2,1-3H3,(H,22,27);3-9,11,15H,10H2,1-2H3,(H,22,27);2*3-10,12,16H,11H2,1-2H3,(H,21,26);1H4
• InChIKey: BKNIATWXESAATO-UHFFFAOYSA-N
• XLogP: 17.16
• TPSA: 512.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2349.17
LogP ≤ 5	17.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide;methane?

The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide;methane (CID 157377884) is 3-(5-chlorothiophen-2-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide;methane.

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

The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide;methane is C.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1cc(C)cs1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccc(C)o1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccc(C)s1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccc(Cl)s1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccco1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1cccs1.

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

The InChIKey is BKNIATWXESAATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4.2C21H21N3O3S.C20H18ClN3O3S.C20H19N3O4.C20H19N3O3S.CH4/c1-13-9-10-18(28-13)19-16(12-24(3)23-19)21(27)22-17(20(26)14(2)25)11-15-7-5-4-6-8-15;1-13-9-18(28-12-13)19-16(11-24(3)23-19)21(27)22-17(20(26)14(2)25)10-15-7-5-4-6-8-15;1-13-9-10-18(28-13)19-16(12-24(3)23-19)21(27)22-17(20(26)14(2)25)11-15-7-5-4-6-8-15;1-12(25)19(26)15(10-13-6-4-3-5-7-13)22-20(27)14-11-24(2)23-18(14)16-8-9-17(21)28-16;2*1-13(24)19(25)16(11-14-7-4-3-5-8-14)21-20(26)15-12-23(2)22-18(15)17-9-6-10-27-17;/h4-10,12,17H,11H2,1-3H3,(H,22,27);4-9,11-12,17H,10H2,1-3H3,(H,22,27);4-10,12,17H,11H2,1-3H3,(H,22,27);3-9,11,15H,10H2,1-2H3,(H,22,27);2*3-10,12,16H,11H2,1-2H3,(H,21,26);1H4.

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

3-(5-chlorothiophen-2-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide;methane has a molecular weight of 2349.17 g/mol, XLogP of 17.16, 42 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chlorothiophen-2-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(4-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide;methane is sourced from PubChem (CID 157377884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).