(E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine

C22H16ClN3 — CID 50929865

IUPAC(E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine
SMILESClc1ccc(/C=N/c2c(-c3ccccc3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H16ClN3/c23-19-13-11-17(12-14-19)15-24-22-21(18-7-3-1-4-8-18)16-25-26(22)20-9-5-2-6-10-20/h1-16H/b24-15+
InChIKeyWJUWFPPEVSORAV-BUVRLJJBSA-N
MW357.84 g/mol
LogP5.94
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine

(E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine (PubChem CID 50929865) has the molecular formula C22H16ClN3 and a molecular weight of 357.84 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine
PubChem CID50929865
Molecular FormulaC22H16ClN3
Molecular Weight357.84 g/mol
Exact Mass357.10
IUPAC Name(E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine
SMILESClc1ccc(/C=N/c2c(-c3ccccc3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H16ClN3/c23-19-13-11-17(12-14-19)15-24-22-21(18-7-3-1-4-8-18)16-25-26(22)20-9-5-2-6-10-20/h1-16H/b24-15+
InChIKeyWJUWFPPEVSORAV-BUVRLJJBSA-N
XLogP5.94
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine (CID 50929865) is (E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine is Clc1ccc(/C=N/c2c(-c3ccccc3)cnn2-c2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine?
The InChIKey is WJUWFPPEVSORAV-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H16ClN3/c23-19-13-11-17(12-14-19)15-24-22-21(18-7-3-1-4-8-18)16-25-26(22)20-9-5-2-6-10-20/h1-16H/b24-15+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine?
(E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine has a molecular weight of 357.84 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-(1,4-diphenylpyrazol-5-yl)methanimine is sourced from PubChem (CID 50929865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).