5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide

C91H87Cl4N19O8 — CID 157310297

About 5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide

5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 157310297) has the molecular formula C91H87Cl4N19O8 and a molecular weight of 1716.63 g/mol. Its IUPAC name is 5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
• PubChem CID: 157310297
• Molecular Formula: C91H87Cl4N19O8
• Molecular Weight: 1716.63 g/mol
• Exact Mass: 1713.57
• IUPAC Name: 5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
• SMILES: CN1CCN=C1c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.[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)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1
• InChI: InChI=1S/C25H26ClN5O2.C23H22ClN5O2.C22H20ClN5O2.C21H19ClN4O2/c1-30-22(21(16-28-30)25(33)29-20-11-9-19(26)10-12-20)15-23(32)17-5-7-18(8-6-17)24(27)31-13-3-2-4-14-31;1-28-12-11-25-22(28)16-5-3-15(4-6-16)21(30)13-20-19(14-26-29(20)2)23(31)27-18-9-7-17(24)8-10-18;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/h5-12,16,27H,2-4,13-15H2,1H3,(H,29,33);3-10,14H,11-13H2,1-2H3,(H,27,31);2-9,13,24H,10-12H2,1H3,(H,26,30);3-10,12,23H,11H2,1-2H3,(H,25,28)/b27-24-;;24-21-;23-13+
• InChIKey: BCYRGCURBLYWTK-XSCVRNQSSA-N
• XLogP: 15.54
• TPSA: 349.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1716.63
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

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-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?

The IUPAC name of 5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide (CID 157310297) is 5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide is CN1CCN=C1c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.[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)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.

What is the InChIKey of 5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?

The InChIKey is BCYRGCURBLYWTK-XSCVRNQSSA-N. The full InChI is InChI=1S/C25H26ClN5O2.C23H22ClN5O2.C22H20ClN5O2.C21H19ClN4O2/c1-30-22(21(16-28-30)25(33)29-20-11-9-19(26)10-12-20)15-23(32)17-5-7-18(8-6-17)24(27)31-13-3-2-4-14-31;1-28-12-11-25-22(28)16-5-3-15(4-6-16)21(30)13-20-19(14-26-29(20)2)23(31)27-18-9-7-17(24)8-10-18;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/h5-12,16,27H,2-4,13-15H2,1H3,(H,29,33);3-10,14H,11-13H2,1-2H3,(H,27,31);2-9,13,24H,10-12H2,1H3,(H,26,30);3-10,12,23H,11H2,1-2H3,(H,25,28)/b27-24-;;24-21-;23-13+.

What are the key properties of 5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?

5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 1716.63 g/mol, XLogP of 15.54, 24 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-(aziridine-1-carboximidoyl)phenyl]-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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 157310297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).