2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide

C20H21N3O4 — CID 141484722

IUPAC2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide
SMILESCOc1ccc(-n2cc(NC(=O)Cc3ccc(OC)c(OC)c3)cn2)cc1
InChIInChI=1S/C20H21N3O4/c1-25-17-7-5-16(6-8-17)23-13-15(12-21-23)22-20(24)11-14-4-9-18(26-2)19(10-14)27-3/h4-10,12-13H,11H2,1-3H3,(H,22,24)
InChIKeyOTUXTVHTQVQWTH-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.08
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide (PubChem CID 141484722) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide
PubChem CID141484722
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide
SMILESCOc1ccc(-n2cc(NC(=O)Cc3ccc(OC)c(OC)c3)cn2)cc1
InChIInChI=1S/C20H21N3O4/c1-25-17-7-5-16(6-8-17)23-13-15(12-21-23)22-20(24)11-14-4-9-18(26-2)19(10-14)27-3/h4-10,12-13H,11H2,1-3H3,(H,22,24)
InChIKeyOTUXTVHTQVQWTH-UHFFFAOYSA-N
XLogP3.08
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide 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 2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide (CID 141484722) is 2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide is COc1ccc(-n2cc(NC(=O)Cc3ccc(OC)c(OC)c3)cn2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide?
The InChIKey is OTUXTVHTQVQWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-17-7-5-16(6-8-17)23-13-15(12-21-23)22-20(24)11-14-4-9-18(26-2)19(10-14)27-3/h4-10,12-13H,11H2,1-3H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 141484722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).