N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine

C29H23Cl2N3O — CID 4262391

About N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine

N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine (PubChem CID 4262391) has the molecular formula C29H23Cl2N3O and a molecular weight of 500.43 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine
• PubChem CID: 4262391
• Molecular Formula: C29H23Cl2N3O
• Molecular Weight: 500.43 g/mol
• Exact Mass: 499.12
• IUPAC Name: N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine
• SMILES: COc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(/C=N/c3ccc(Cl)cc3)cc2)cc1
• InChI: InChI=1S/C29H23Cl2N3O/c1-35-27-16-6-22(7-17-27)29-18-28(21-4-8-23(30)9-5-21)33-34(29)26-14-2-20(3-15-26)19-32-25-12-10-24(31)11-13-25/h2-17,19,29H,18H2,1H3/b32-19+
• InChIKey: MQVKIANKTKIUIZ-BIZUNTBRSA-N
• XLogP: 8.11
• TPSA: 37.19 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.43
LogP ≤ 5	8.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine?

The IUPAC name of N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine (CID 4262391) is N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine.

What is the SMILES notation for N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine?

The canonical SMILES for N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine is COc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(/C=N/c3ccc(Cl)cc3)cc2)cc1.

What is the InChIKey of N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine?

The InChIKey is MQVKIANKTKIUIZ-BIZUNTBRSA-N. The full InChI is InChI=1S/C29H23Cl2N3O/c1-35-27-16-6-22(7-17-27)29-18-28(21-4-8-23(30)9-5-21)33-34(29)26-14-2-20(3-15-26)19-32-25-12-10-24(31)11-13-25/h2-17,19,29H,18H2,1H3/b32-19+.

What are the key properties of N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine?

N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine has a molecular weight of 500.43 g/mol, XLogP of 8.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine is sourced from PubChem (CID 4262391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).