2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide

C23H27N3O3 — CID 17088770

IUPAC2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccn(Cc3ccccc3C)n2)cc1OCC
InChIInChI=1S/C23H27N3O3/c1-4-28-20-11-10-18(14-21(20)29-5-2)15-23(27)24-22-12-13-26(25-22)16-19-9-7-6-8-17(19)3/h6-14H,4-5,15-16H2,1-3H3,(H,24,25,27)
InChIKeyYOJPMZVEJKEVSO-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.22
Rot. Bonds9

About 2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide

2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 17088770) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID17088770
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccn(Cc3ccccc3C)n2)cc1OCC
InChIInChI=1S/C23H27N3O3/c1-4-28-20-11-10-18(14-21(20)29-5-2)15-23(27)24-22-12-13-26(25-22)16-19-9-7-6-8-17(19)3/h6-14H,4-5,15-16H2,1-3H3,(H,24,25,27)
InChIKeyYOJPMZVEJKEVSO-UHFFFAOYSA-N
XLogP4.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-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

Related Compounds

5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284882
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284921
1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274063
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19286047
1-(3-chlorophenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 19405696
1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274053
2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
CID 35274045
ethyl 4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamothioylamino]benzoate
CID 19395023
5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19450765
4-[(4-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284891
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
1-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19344215

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide (CID 17088770) is 2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide is CCOc1ccc(CC(=O)Nc2ccn(Cc3ccccc3C)n2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is YOJPMZVEJKEVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-28-20-11-10-18(14-21(20)29-5-2)15-23(27)24-22-12-13-26(25-22)16-19-9-7-6-8-17(19)3/h6-14H,4-5,15-16H2,1-3H3,(H,24,25,27).
What are the key properties of 2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide?
2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 17088770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).