(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine

C24H19Cl2N3O2 — CID 127027632

About (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine

(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine (PubChem CID 127027632) has the molecular formula C24H19Cl2N3O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine.

Molecular Properties

• Compound Name: (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
• PubChem CID: 127027632
• Molecular Formula: C24H19Cl2N3O2
• Molecular Weight: 452.34 g/mol
• Exact Mass: 451.09
• IUPAC Name: (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
• SMILES: COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/OCc2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C24H19Cl2N3O2/c1-30-22-11-8-17(9-12-22)24-19(15-29(28-24)21-5-3-2-4-6-21)14-27-31-16-18-7-10-20(25)13-23(18)26/h2-15H,16H2,1H3/b27-14+
• InChIKey: FAXRFIHHKXBYQC-MZJWZYIUSA-N
• XLogP: 6.41
• TPSA: 48.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.34
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine?

The IUPAC name of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine (CID 127027632) is (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine.

What is the SMILES notation for (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine?

The canonical SMILES for (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine is COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/OCc2ccc(Cl)cc2Cl)cc1.

What is the InChIKey of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine?

The InChIKey is FAXRFIHHKXBYQC-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2/c1-30-22-11-8-17(9-12-22)24-19(15-29(28-24)21-5-3-2-4-6-21)14-27-31-16-18-7-10-20(25)13-23(18)26/h2-15H,16H2,1H3/b27-14+.

What are the key properties of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine?

(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine has a molecular weight of 452.34 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine is sourced from PubChem (CID 127027632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).