N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

C70H73Cl3N20O6S — CID 158922157

About N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (PubChem CID 158922157) has the molecular formula C70H73Cl3N20O6S and a molecular weight of 1428.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
• PubChem CID: 158922157
• Molecular Formula: C70H73Cl3N20O6S
• Molecular Weight: 1428.91 g/mol
• Exact Mass: 1426.48
• IUPAC Name: N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
• SMILES: [H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCN(C)CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCNCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCSCC1
• InChI: InChI=1S/C24H26ClN7O2.C23H24ClN7O2.C23H23ClN6O2S/c1-30-11-13-32(14-12-30)21(26)16-3-5-17(6-4-16)23(33)29-22-20(15-27-31(22)2)24(34)28-19-9-7-18(25)8-10-19;1-30-21(19(14-27-30)23(33)28-18-8-6-17(24)7-9-18)29-22(32)16-4-2-15(3-5-16)20(25)31-12-10-26-11-13-31;1-29-21(19(14-26-29)23(32)27-18-8-6-17(24)7-9-18)28-22(31)16-4-2-15(3-5-16)20(25)30-10-12-33-13-11-30/h3-10,15,26H,11-14H2,1-2H3,(H,28,34)(H,29,33);2-9,14,25-26H,10-13H2,1H3,(H,28,33)(H,29,32);2-9,14,25H,10-13H2,1H3,(H,27,32)(H,28,31)/b26-21-;2*25-20-
• InChIKey: JHYRXAMSPQWZGM-MPZGAXRUSA-N
• XLogP: 9.91
• TPSA: 324.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1428.91
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?

The IUPAC name of N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (CID 158922157) is N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide.

What is the SMILES notation for N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?

The canonical SMILES for N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is [H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCN(C)CC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCNCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCSCC1.

What is the InChIKey of N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?

The InChIKey is JHYRXAMSPQWZGM-MPZGAXRUSA-N. The full InChI is InChI=1S/C24H26ClN7O2.C23H24ClN7O2.C23H23ClN6O2S/c1-30-11-13-32(14-12-30)21(26)16-3-5-17(6-4-16)23(33)29-22-20(15-27-31(22)2)24(34)28-19-9-7-18(25)8-10-19;1-30-21(19(14-27-30)23(33)28-18-8-6-17(24)7-9-18)29-22(32)16-4-2-15(3-5-16)20(25)31-12-10-26-11-13-31;1-29-21(19(14-26-29)23(32)27-18-8-6-17(24)7-9-18)28-22(31)16-4-2-15(3-5-16)20(25)30-10-12-33-13-11-30/h3-10,15,26H,11-14H2,1-2H3,(H,28,34)(H,29,33);2-9,14,25-26H,10-13H2,1H3,(H,28,33)(H,29,32);2-9,14,25H,10-13H2,1H3,(H,27,32)(H,28,31)/b26-21-;2*25-20-.

What are the key properties of N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?

N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide has a molecular weight of 1428.91 g/mol, XLogP of 9.91, 15 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is sourced from PubChem (CID 158922157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).