N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine

C23H18ClN3 — CID 2318060

IUPACN-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C23H18ClN3/c24-21-13-11-19(12-14-21)23-20(16-25-15-18-7-3-1-4-8-18)17-27(26-23)22-9-5-2-6-10-22/h1-14,16-17H,15H2/b25-16+
InChIKeySJWHPZRCNIPSGA-PCLIKHOPSA-N
MW371.87 g/mol
LogP5.81
Rot. Bonds5

About N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine

N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine (PubChem CID 2318060) has the molecular formula C23H18ClN3 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine.

Molecular Properties

Compound NameN-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine
PubChem CID2318060
Molecular FormulaC23H18ClN3
Molecular Weight371.87 g/mol
Exact Mass371.12
IUPAC NameN-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine
SMILESClc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)cc1
InChIInChI=1S/C23H18ClN3/c24-21-13-11-19(12-14-21)23-20(16-25-15-18-7-3-1-4-8-18)17-27(26-23)22-9-5-2-6-10-22/h1-14,16-17H,15H2/b25-16+
InChIKeySJWHPZRCNIPSGA-PCLIKHOPSA-N
XLogP5.81
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-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

Related Compounds

N-benzyl-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methanimine
CID 1243009
(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 9216828
1-(1,3-diphenylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanimine
CID 11112260
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-(1,3-diphenylpyrazol-4-yl)methanimine
CID 127025143
4-chloro-N-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 4086159
4-chloro-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 2222769
4-chloro-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6872953
3-[4-(benzyliminomethyl)-1-phenylpyrazol-3-yl]chromen-2-one
CID 2319465
3-(4-chlorophenyl)-1-phenylpyrazol-4-ol
CID 99938046
4-amino-N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9071102
(NZ)-N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5399521
(5Z)-3-benzyl-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 6244728

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine?
The IUPAC name of N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine (CID 2318060) is N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine.
What is the SMILES notation for N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine?
The canonical SMILES for N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine is Clc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine?
The InChIKey is SJWHPZRCNIPSGA-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H18ClN3/c24-21-13-11-19(12-14-21)23-20(16-25-15-18-7-3-1-4-8-18)17-27(26-23)22-9-5-2-6-10-22/h1-14,16-17H,15H2/b25-16+.
What are the key properties of N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine?
N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine has a molecular weight of 371.87 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanimine is sourced from PubChem (CID 2318060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).