3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide

C26H24ClN3O3 — CID 19400902

IUPAC3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccn(Cc3cccc(C)c3)n2)cc1COc1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3/c1-18-4-3-5-19(14-18)16-30-13-12-25(29-30)28-26(31)20-6-11-24(32-2)21(15-20)17-33-23-9-7-22(27)8-10-23/h3-15H,16-17H2,1-2H3,(H,28,29,31)
InChIKeyVEEJLJKIEHUDRR-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.73
Rot. Bonds8

About 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide

3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19400902) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19400902
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccn(Cc3cccc(C)c3)n2)cc1COc1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3/c1-18-4-3-5-19(14-18)16-30-13-12-25(29-30)28-26(31)20-6-11-24(32-2)21(15-20)17-33-23-9-7-22(27)8-10-23/h3-15H,16-17H2,1-2H3,(H,28,29,31)
InChIKeyVEEJLJKIEHUDRR-UHFFFAOYSA-N
XLogP5.73
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide 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

4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
(E)-3-[4-methoxy-3-(phenoxymethyl)phenyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19400883
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400990
(E)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19284536
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19283696
2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400996
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19403127
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19403141
(E)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19345301
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 19335177

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 19400902) is 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccn(Cc3cccc(C)c3)n2)cc1COc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is VEEJLJKIEHUDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c1-18-4-3-5-19(14-18)16-30-13-12-25(29-30)28-26(31)20-6-11-24(32-2)21(15-20)17-33-23-9-7-22(27)8-10-23/h3-15H,16-17H2,1-2H3,(H,28,29,31).
What are the key properties of 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 461.95 g/mol, XLogP of 5.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19400902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).