5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

C124H122Cl4FN23O6S — CID 159315515

About 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 159315515) has the molecular formula C124H122Cl4FN23O6S and a molecular weight of 2223.37 g/mol. Its IUPAC name is 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 159315515
• Molecular Formula: C124H122Cl4FN23O6S
• Molecular Weight: 2223.37 g/mol
• Exact Mass: 2219.84
• IUPAC Name: 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
• SMILES: [H]/N=C(\C)c1ccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CNC(=O)c2c(C)nn(Cc3c(Cl)cccc3Cl)c2Cl)cc1.[H]/N=C(\C)c1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1.[H]/N=C(\C)c1ccc(CNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)cc1.[H]/N=C(\C)c1ccc(CNC(=O)c2nnn(-c3cccc(F)c3)c2C)cc1
• InChI: InChI=1S/C22H23ClN4O.C22H23N3O.C21H19Cl3N4O.C21H22N4O.C19H18FN5O.C19H17N3OS/c1-14(24)18-10-8-17(9-11-18)12-25-22(28)21-15(2)26-27(16(21)3)13-19-6-4-5-7-20(19)23;1-15-13-21(17(3)25(15)20-7-5-4-6-8-20)22(26)24-14-18-9-11-19(12-10-18)16(2)23;1-12(25)15-8-6-14(7-9-15)10-26-21(29)19-13(2)27-28(20(19)24)11-16-17(22)4-3-5-18(16)23;1-14(22)18-11-9-17(10-12-18)13-23-21(26)20-15(2)24-25(16(20)3)19-7-5-4-6-8-19;1-12(21)15-8-6-14(7-9-15)11-22-19(26)18-13(2)25(24-23-18)17-5-3-4-16(20)10-17;1-13(20)15-9-7-14(8-10-15)11-21-18(23)17-12-22-19(24-17)16-5-3-2-4-6-16/h4-11,24H,12-13H2,1-3H3,(H,25,28);4-13,23H,14H2,1-3H3,(H,24,26);3-9,25H,10-11H2,1-2H3,(H,26,29);4-12,22H,13H2,1-3H3,(H,23,26);3-10,21H,11H2,1-2H3,(H,22,26);2-10,12,20H,11H2,1H3,(H,21,23)/b24-14+;23-16+;25-12+;22-14+;21-12+;20-13+
• InChIKey: LDBXEJZSJKFWMM-DYKRTXASSA-N
• XLogP: 25.42
• TPSA: 419.69 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2223.37
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 159315515) is 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide is [H]/N=C(\C)c1ccc(CNC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CNC(=O)c2c(C)nn(Cc3c(Cl)cccc3Cl)c2Cl)cc1.[H]/N=C(\C)c1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1.[H]/N=C(\C)c1ccc(CNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1.[H]/N=C(\C)c1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)cc1.[H]/N=C(\C)c1ccc(CNC(=O)c2nnn(-c3cccc(F)c3)c2C)cc1.

What is the InChIKey of 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The InChIKey is LDBXEJZSJKFWMM-DYKRTXASSA-N. The full InChI is InChI=1S/C22H23ClN4O.C22H23N3O.C21H19Cl3N4O.C21H22N4O.C19H18FN5O.C19H17N3OS/c1-14(24)18-10-8-17(9-11-18)12-25-22(28)21-15(2)26-27(16(21)3)13-19-6-4-5-7-20(19)23;1-15-13-21(17(3)25(15)20-7-5-4-6-8-20)22(26)24-14-18-9-11-19(12-10-18)16(2)23;1-12(25)15-8-6-14(7-9-15)10-26-21(29)19-13(2)27-28(20(19)24)11-16-17(22)4-3-5-18(16)23;1-14(22)18-11-9-17(10-12-18)13-23-21(26)20-15(2)24-25(16(20)3)19-7-5-4-6-8-19;1-12(21)15-8-6-14(7-9-15)11-22-19(26)18-13(2)25(24-23-18)17-5-3-4-16(20)10-17;1-13(20)15-9-7-14(8-10-15)11-21-18(23)17-12-22-19(24-17)16-5-3-2-4-6-16/h4-11,24H,12-13H2,1-3H3,(H,25,28);4-13,23H,14H2,1-3H3,(H,24,26);3-9,25H,10-11H2,1-2H3,(H,26,29);4-12,22H,13H2,1-3H3,(H,23,26);3-10,21H,11H2,1-2H3,(H,22,26);2-10,12,20H,11H2,1H3,(H,21,23)/b24-14+;23-16+;25-12+;22-14+;21-12+;20-13+.

What are the key properties of 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?

5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 2223.37 g/mol, XLogP of 25.42, 32 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3-methylpyrazole-4-carboxamide;1-[(2-chlorophenyl)methyl]-N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-1-(3-fluorophenyl)-5-methyltriazole-4-carboxamide;N-[(4-ethanimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159315515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).