5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide

C25H22ClN5O3 — CID 137265679

About 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide

5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide (PubChem CID 137265679) has the molecular formula C25H22ClN5O3 and a molecular weight of 475.94 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide
• PubChem CID: 137265679
• Molecular Formula: C25H22ClN5O3
• Molecular Weight: 475.94 g/mol
• Exact Mass: 475.14
• IUPAC Name: 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide
• SMILES: O=C(/N=N/c1c(O)[nH]c2ccccc12)C1CC(c2ccc(OCc3ccc(Cl)cc3)cc2)NN1
• InChI: InChI=1S/C25H22ClN5O3/c26-17-9-5-15(6-10-17)14-34-18-11-7-16(8-12-18)21-13-22(29-28-21)24(32)31-30-23-19-3-1-2-4-20(19)27-25(23)33/h1-12,21-22,27-29,33H,13-14H2/b31-30+
• InChIKey: DRBWDLOWGLAJLS-NVQSTNCTSA-N
• XLogP: 5.32
• TPSA: 111.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.94
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide?

The IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide (CID 137265679) is 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide.

What is the SMILES notation for 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide?

The canonical SMILES for 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)C1CC(c2ccc(OCc3ccc(Cl)cc3)cc2)NN1.

What is the InChIKey of 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide?

The InChIKey is DRBWDLOWGLAJLS-NVQSTNCTSA-N. The full InChI is InChI=1S/C25H22ClN5O3/c26-17-9-5-15(6-10-17)14-34-18-11-7-16(8-12-18)21-13-22(29-28-21)24(32)31-30-23-19-3-1-2-4-20(19)27-25(23)33/h1-12,21-22,27-29,33H,13-14H2/b31-30+.

What are the key properties of 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide?

5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide has a molecular weight of 475.94 g/mol, XLogP of 5.32, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide is sourced from PubChem (CID 137265679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).