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

C49H51Cl2N11O4 — CID 158325927

About N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]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-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 158325927) has the molecular formula C49H51Cl2N11O4 and a molecular weight of 928.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]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: N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
• PubChem CID: 158325927
• Molecular Formula: C49H51Cl2N11O4
• Molecular Weight: 928.93 g/mol
• Exact Mass: 927.35
• IUPAC Name: N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
• SMILES: [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)N1CCNCC1
• InChI: InChI=1S/C25H26ClN5O2.C24H25ClN6O2/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;1-30-21(20(15-28-30)24(33)29-19-8-6-18(25)7-9-19)14-22(32)16-2-4-17(5-3-16)23(26)31-12-10-27-11-13-31/h5-12,16,27H,2-4,13-15H2,1H3,(H,29,33);2-9,15,26-27H,10-14H2,1H3,(H,29,33)/b27-24-;26-23-
• InChIKey: GPKCZWNNXWRFBO-ZPLWCDDDSA-N
• XLogP: 7.54
• TPSA: 194.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	928.93
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

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-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]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 N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide (CID 158325927) is N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]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 N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]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 N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide is [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)N1CCNCC1.

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

The InChIKey is GPKCZWNNXWRFBO-ZPLWCDDDSA-N. The full InChI is InChI=1S/C25H26ClN5O2.C24H25ClN6O2/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;1-30-21(20(15-28-30)24(33)29-19-8-6-18(25)7-9-19)14-22(32)16-2-4-17(5-3-16)23(26)31-12-10-27-11-13-31/h5-12,16,27H,2-4,13-15H2,1H3,(H,29,33);2-9,15,26-27H,10-14H2,1H3,(H,29,33)/b27-24-;26-23-.

What are the key properties of N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]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-(piperazine-1-carboximidoyl)phenyl]ethyl]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 928.93 g/mol, XLogP of 7.54, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]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 158325927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).