N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide

C68H67Cl3N18O7S — CID 158683859

About N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-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-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (PubChem CID 158683859) has the molecular formula C68H67Cl3N18O7S and a molecular weight of 1386.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-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-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
• PubChem CID: 158683859
• Molecular Formula: C68H67Cl3N18O7S
• Molecular Weight: 1386.83 g/mol
• Exact Mass: 1384.42
• IUPAC Name: N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
• SMILES: CN1CCN=C1c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCSCC1
• InChI: InChI=1S/C23H23ClN6O3.C23H23ClN6O2S.C22H21ClN6O2/c2*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;1-28-12-11-24-19(28)14-3-5-15(6-4-14)21(30)27-20-18(13-25-29(20)2)22(31)26-17-9-7-16(23)8-10-17/h2*2-9,14,25H,10-13H2,1H3,(H,27,32)(H,28,31);3-10,13H,11-12H2,1-2H3,(H,26,31)(H,27,30)/b2*25-20-
• InChIKey: IFMCYOJMUFZHCM-CYFJHTSMSA-N
• XLogP: 10.46
• TPSA: 307.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1386.83
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	8
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-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-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-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (CID 158683859) is N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-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-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-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-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide is CN1CCN=C1c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCOCC1.[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-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide?

The InChIKey is IFMCYOJMUFZHCM-CYFJHTSMSA-N. The full InChI is InChI=1S/C23H23ClN6O3.C23H23ClN6O2S.C22H21ClN6O2/c2*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;1-28-12-11-24-19(28)14-3-5-15(6-4-14)21(30)27-20-18(13-25-29(20)2)22(31)26-17-9-7-16(23)8-10-17/h2*2-9,14,25H,10-13H2,1H3,(H,27,32)(H,28,31);3-10,13H,11-12H2,1-2H3,(H,26,31)(H,27,30)/b2*25-20-;.

What are the key properties of N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-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-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-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 1386.83 g/mol, XLogP of 10.46, 15 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(morpholine-4-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 158683859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).