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-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide

C96H96Cl4N20O9S — CID 160727025

About 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-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]pyrazole-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-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 160727025) has the molecular formula C96H96Cl4N20O9S and a molecular weight of 1847.83 g/mol. Its IUPAC name is 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-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 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-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
• PubChem CID: 160727025
• Molecular Formula: C96H96Cl4N20O9S
• Molecular Weight: 1847.83 g/mol
• Exact Mass: 1844.61
• IUPAC Name: 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-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-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)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCSCC1
• InChI: InChI=1S/C25H26ClN5O2.C24H24ClN5O3.C24H24ClN5O2S.C23H22ClN5O2/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;2*1-29-21(20(15-27-29)24(32)28-19-8-6-18(25)7-9-19)14-22(31)16-2-4-17(5-3-16)23(26)30-10-12-33-13-11-30;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/h5-12,16,27H,2-4,13-15H2,1H3,(H,29,33);2*2-9,15,26H,10-14H2,1H3,(H,28,32);3-10,14H,11-13H2,1-2H3,(H,27,31)/b27-24-;2*26-23-
• InChIKey: RTVOGLONAWWBBM-AMAVHFQKSA-N
• XLogP: 15.54
• TPSA: 362.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1847.83
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

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

The IUPAC name of 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-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide (CID 160727025) is 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-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide.

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

The canonical SMILES for 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-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-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)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1)N1CCSCC1.

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

The InChIKey is RTVOGLONAWWBBM-AMAVHFQKSA-N. The full InChI is InChI=1S/C25H26ClN5O2.C24H24ClN5O3.C24H24ClN5O2S.C23H22ClN5O2/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;2*1-29-21(20(15-27-29)24(32)28-19-8-6-18(25)7-9-19)14-22(31)16-2-4-17(5-3-16)23(26)30-10-12-33-13-11-30;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/h5-12,16,27H,2-4,13-15H2,1H3,(H,29,33);2*2-9,15,26H,10-14H2,1H3,(H,28,32);3-10,14H,11-13H2,1-2H3,(H,27,31)/b27-24-;2*26-23-;.

What are the key properties of 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-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]pyrazole-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-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 1847.83 g/mol, XLogP of 15.54, 24 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[4-(morpholine-4-carboximidoyl)phenyl]-2-oxoethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 160727025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).