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

C83H83ClN12O13S3 — CID 160510597

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

3-(2-chlorothiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;3-(2,5-dimethylthiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-3-ylpyrazole-4-carboxamide;methane (PubChem CID 160510597) has the molecular formula C83H83ClN12O13S3 and a molecular weight of 1588.30 g/mol. Its IUPAC name is 3-(2-chlorothiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;3-(2,5-dimethylthiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-3-ylpyrazole-4-carboxamide;methane.

Molecular Properties

• Compound Name: 3-(2-chlorothiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;3-(2,5-dimethylthiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-3-ylpyrazole-4-carboxamide;methane
• PubChem CID: 160510597
• Molecular Formula: C83H83ClN12O13S3
• Molecular Weight: 1588.30 g/mol
• Exact Mass: 1586.51
• IUPAC Name: 3-(2-chlorothiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;3-(2,5-dimethylthiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-3-ylpyrazole-4-carboxamide;methane
• SMILES: C.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1cc(C)sc1C.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccoc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccsc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccsc1Cl
• InChI: InChI=1S/C22H23N3O3S.C20H18ClN3O3S.C20H19N3O4.C20H19N3O3S.CH4/c1-13-10-17(15(3)29-13)20-18(12-25(4)24-20)22(28)23-19(21(27)14(2)26)11-16-8-6-5-7-9-16;1-12(25)18(26)16(10-13-6-4-3-5-7-13)22-20(27)15-11-24(2)23-17(15)14-8-9-28-19(14)21;2*1-13(24)19(25)17(10-14-6-4-3-5-7-14)21-20(26)16-11-23(2)22-18(16)15-8-9-27-12-15;/h5-10,12,19H,11H2,1-4H3,(H,23,28);3-9,11,16H,10H2,1-2H3,(H,22,27);2*3-9,11-12,17H,10H2,1-2H3,(H,21,26);1H4
• InChIKey: QSZODZPXCGVMPL-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 337.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1588.30
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

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

The IUPAC name of 3-(2-chlorothiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;3-(2,5-dimethylthiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-3-ylpyrazole-4-carboxamide;methane (CID 160510597) is 3-(2-chlorothiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;3-(2,5-dimethylthiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-3-ylpyrazole-4-carboxamide;methane.

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

The canonical SMILES for 3-(2-chlorothiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;3-(2,5-dimethylthiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-3-ylpyrazole-4-carboxamide;methane is C.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1cc(C)sc1C.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccoc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccsc1.CC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccsc1Cl.

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

The InChIKey is QSZODZPXCGVMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S.C20H18ClN3O3S.C20H19N3O4.C20H19N3O3S.CH4/c1-13-10-17(15(3)29-13)20-18(12-25(4)24-20)22(28)23-19(21(27)14(2)26)11-16-8-6-5-7-9-16;1-12(25)18(26)16(10-13-6-4-3-5-7-13)22-20(27)15-11-24(2)23-17(15)14-8-9-28-19(14)21;2*1-13(24)19(25)17(10-14-6-4-3-5-7-14)21-20(26)16-11-23(2)22-18(16)15-8-9-27-12-15;/h5-10,12,19H,11H2,1-4H3,(H,23,28);3-9,11,16H,10H2,1-2H3,(H,22,27);2*3-9,11-12,17H,10H2,1-2H3,(H,21,26);1H4.

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

3-(2-chlorothiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;3-(2,5-dimethylthiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-3-ylpyrazole-4-carboxamide;methane has a molecular weight of 1588.30 g/mol, XLogP of 12.03, 28 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorothiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;3-(2,5-dimethylthiophen-3-yl)-N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide;N-(3,4-dioxo-1-phenylpentan-2-yl)-1-methyl-3-thiophen-3-ylpyrazole-4-carboxamide;methane is sourced from PubChem (CID 160510597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).