5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide

C110H103Cl5N24O10 — CID 158610535

About 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide

5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 158610535) has the molecular formula C110H103Cl5N24O10 and a molecular weight of 2098.46 g/mol. Its IUPAC name is 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
• PubChem CID: 158610535
• Molecular Formula: C110H103Cl5N24O10
• Molecular Weight: 2098.46 g/mol
• Exact Mass: 2094.67
• IUPAC Name: 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
• SMILES: [H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.[H]/N=C(\N)c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1
• InChI: InChI=1S/C24H24ClN5O2.C23H22ClN5O2.C22H20ClN5O2.C21H19ClN4O2.C20H18ClN5O2/c1-29-21(20(15-27-29)24(32)28-19-10-8-18(25)9-11-19)14-22(31)16-4-6-17(7-5-16)23(26)30-12-2-3-13-30;1-28-20(19(14-26-28)23(31)27-18-9-7-17(24)8-10-18)13-21(30)15-3-5-16(6-4-15)22(25)29-11-2-12-29;1-27-19(18(13-25-27)22(30)26-17-8-6-16(23)7-9-17)12-20(29)14-2-4-15(5-3-14)21(24)28-10-11-28;1-13(23)14-3-5-15(6-4-14)20(27)11-19-18(12-24-26(19)2)21(28)25-17-9-7-16(22)8-10-17;1-26-17(10-18(27)12-2-4-13(5-3-12)19(22)23)16(11-24-26)20(28)25-15-8-6-14(21)7-9-15/h4-11,15,26H,2-3,12-14H2,1H3,(H,28,32);3-10,14,25H,2,11-13H2,1H3,(H,27,31);2-9,13,24H,10-12H2,1H3,(H,26,30);3-10,12,23H,11H2,1-2H3,(H,25,28);2-9,11H,10H2,1H3,(H3,22,23)(H,25,28)/b26-23-;25-22-;24-21-;23-13+
• InChIKey: HWTZGAJTSIYCTF-AIPHYDAFSA-N
• XLogP: 18.52
• TPSA: 474.71 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2098.46
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?

The IUPAC name of 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide (CID 158610535) is 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide is [H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.[H]/N=C(\N)c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.

What is the InChIKey of 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?

The InChIKey is HWTZGAJTSIYCTF-AIPHYDAFSA-N. The full InChI is InChI=1S/C24H24ClN5O2.C23H22ClN5O2.C22H20ClN5O2.C21H19ClN4O2.C20H18ClN5O2/c1-29-21(20(15-27-29)24(32)28-19-10-8-18(25)9-11-19)14-22(31)16-4-6-17(7-5-16)23(26)30-12-2-3-13-30;1-28-20(19(14-26-28)23(31)27-18-9-7-17(24)8-10-18)13-21(30)15-3-5-16(6-4-15)22(25)29-11-2-12-29;1-27-19(18(13-25-27)22(30)26-17-8-6-16(23)7-9-17)12-20(29)14-2-4-15(5-3-14)21(24)28-10-11-28;1-13(23)14-3-5-15(6-4-14)20(27)11-19-18(12-24-26(19)2)21(28)25-17-9-7-16(22)8-10-17;1-26-17(10-18(27)12-2-4-13(5-3-12)19(22)23)16(11-24-26)20(28)25-15-8-6-14(21)7-9-15/h4-11,15,26H,2-3,12-14H2,1H3,(H,28,32);3-10,14,25H,2,11-13H2,1H3,(H,27,31);2-9,13,24H,10-12H2,1H3,(H,26,30);3-10,12,23H,11H2,1-2H3,(H,25,28);2-9,11H,10H2,1H3,(H3,22,23)(H,25,28)/b26-23-;25-22-;24-21-;23-13+;.

What are the key properties of 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?

5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 2098.46 g/mol, XLogP of 18.52, 30 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;5-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(4-chlorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-5-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-1-methylpyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 158610535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).