5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide

C43H39Cl6N7O4S2 — CID 159777573

About 5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide

5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide (PubChem CID 159777573) has the molecular formula C43H39Cl6N7O4S2 and a molecular weight of 994.68 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide
• PubChem CID: 159777573
• Molecular Formula: C43H39Cl6N7O4S2
• Molecular Weight: 994.68 g/mol
• Exact Mass: 991.06
• IUPAC Name: 5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide
• SMILES: Cc1c(C(=O)NC(=O)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1.Cc1c(C(=O)NC(=O)N2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1
• InChI: InChI=1S/C22H20Cl3N3O2S.C21H19Cl3N4O2S/c1-12-19(22(30)26-21(29)13-5-3-2-4-6-13)27-28(16-8-7-14(23)11-15(16)24)20(12)17-9-10-18(25)31-17;1-12-18(20(29)25-21(30)27-9-3-2-4-10-27)26-28(15-6-5-13(22)11-14(15)23)19(12)16-7-8-17(24)31-16/h7-11,13H,2-6H2,1H3,(H,26,29,30);5-8,11H,2-4,9-10H2,1H3,(H,25,29,30)
• InChIKey: NGYDIASSBOAZPN-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 131.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	994.68
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide?

The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide (CID 159777573) is 5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide.

What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide?

The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide is Cc1c(C(=O)NC(=O)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1.Cc1c(C(=O)NC(=O)N2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1.

What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide?

The InChIKey is NGYDIASSBOAZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3N3O2S.C21H19Cl3N4O2S/c1-12-19(22(30)26-21(29)13-5-3-2-4-6-13)27-28(16-8-7-14(23)11-15(16)24)20(12)17-9-10-18(25)31-17;1-12-18(20(29)25-21(30)27-9-3-2-4-10-27)26-28(15-6-5-13(22)11-14(15)23)19(12)16-7-8-17(24)31-16/h7-11,13H,2-6H2,1H3,(H,26,29,30);5-8,11H,2-4,9-10H2,1H3,(H,25,29,30).

What are the key properties of 5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide?

5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide has a molecular weight of 994.68 g/mol, XLogP of 12.91, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chlorothiophen-2-yl)-N-(cyclohexanecarbonyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;N-[5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 159777573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).