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

C115H116Cl5N31O11S — CID 158671784

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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-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-(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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (PubChem CID 158671784) has the molecular formula C115H116Cl5N31O11S and a molecular weight of 2317.73 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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-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-(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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
• PubChem CID: 158671784
• Molecular Formula: C115H116Cl5N31O11S
• Molecular Weight: 2317.73 g/mol
• Exact Mass: 2313.76
• 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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-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)N1CCCCC1.[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)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCSCC1
• InChI: InChI=1S/C24H25ClN6O2.C23H24ClN7O2.C23H23ClN6O3.C23H23ClN6O2S.C22H21ClN6O2/c1-30-22(20(15-27-30)24(33)28-19-11-9-18(25)10-12-19)29-23(32)17-7-5-16(6-8-17)21(26)31-13-3-2-4-14-31;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;2*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/h5-12,15,26H,2-4,13-14H2,1H3,(H,28,33)(H,29,32);2-9,14,25-26H,10-13H2,1H3,(H,28,33)(H,29,32);2*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)/b26-21-;3*25-20-
• InChIKey: IEAQEPIBEOKEDZ-LBBZJBICSA-N
• XLogP: 17.66
• TPSA: 525.32 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2317.73
LogP ≤ 5	17.66
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	29

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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-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-(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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide (CID 158671784) 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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-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-(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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-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-(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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-1-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)N1CCCCC1.[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)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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-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 IEAQEPIBEOKEDZ-LBBZJBICSA-N. The full InChI is InChI=1S/C24H25ClN6O2.C23H24ClN7O2.C23H23ClN6O3.C23H23ClN6O2S.C22H21ClN6O2/c1-30-22(20(15-27-30)24(33)28-19-11-9-18(25)10-12-19)29-23(32)17-7-5-16(6-8-17)21(26)31-13-3-2-4-14-31;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;2*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/h5-12,15,26H,2-4,13-14H2,1H3,(H,28,33)(H,29,32);2-9,14,25-26H,10-13H2,1H3,(H,28,33)(H,29,32);2*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)/b26-21-;3*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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-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-(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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-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 2317.73 g/mol, XLogP of 17.66, 25 rotatable bonds, 15 hydrogen bond donors, and 29 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-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperidine-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 158671784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).