Skip to content

3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide

C28H28ClN3O4 — CID 19341138

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
SMILESCOc1ccc(Cn2nc(C)c(NC(=O)c3cccc(COc4cccc(Cl)c4)c3)c2C)cc1OC
InChIInChI=1S/C28H28ClN3O4/c1-18-27(19(2)32(31-18)16-20-11-12-25(34-3)26(14-20)35-4)30-28(33)22-8-5-7-21(13-22)17-36-24-10-6-9-23(29)15-24/h5-15H,16-17H2,1-4H3,(H,30,33)
InChIKeyOHTCQPFBNRBHOU-UHFFFAOYSA-N
MW506.00 g/mol
LogP6.05
Rot. Bonds9

About 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide

3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide (PubChem CID 19341138) has the molecular formula C28H28ClN3O4 and a molecular weight of 506.00 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
PubChem CID19341138
Molecular FormulaC28H28ClN3O4
Molecular Weight506.00 g/mol
Exact Mass505.18
IUPAC Name3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
SMILESCOc1ccc(Cn2nc(C)c(NC(=O)c3cccc(COc4cccc(Cl)c4)c3)c2C)cc1OC
InChIInChI=1S/C28H28ClN3O4/c1-18-27(19(2)32(31-18)16-20-11-12-25(34-3)26(14-20)35-4)30-28(33)22-8-5-7-21(13-22)17-36-24-10-6-9-23(29)15-24/h5-15H,16-17H2,1-4H3,(H,30,33)
InChIKeyOHTCQPFBNRBHOU-UHFFFAOYSA-N
XLogP6.05
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.00
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide (CID 19341138) is 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide is COc1ccc(Cn2nc(C)c(NC(=O)c3cccc(COc4cccc(Cl)c4)c3)c2C)cc1OC.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide?
The InChIKey is OHTCQPFBNRBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O4/c1-18-27(19(2)32(31-18)16-20-11-12-25(34-3)26(14-20)35-4)30-28(33)22-8-5-7-21(13-22)17-36-24-10-6-9-23(29)15-24/h5-15H,16-17H2,1-4H3,(H,30,33).
What are the key properties of 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide?
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide has a molecular weight of 506.00 g/mol, XLogP of 6.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide is sourced from PubChem (CID 19341138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.