2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide

C23H22N4O3S — CID 25281558

IUPAC2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)cc1OC
InChIInChI=1S/C23H22N4O3S/c1-15-11-21(25-22(28)13-16-9-10-19(29-2)20(12-16)30-3)27(26-15)23-24-18(14-31-23)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,25,28)
InChIKeyPNVCWBDQBNABNJ-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.50
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide (PubChem CID 25281558) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
PubChem CID25281558
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)cc1OC
InChIInChI=1S/C23H22N4O3S/c1-15-11-21(25-22(28)13-16-9-10-19(29-2)20(12-16)30-3)27(26-15)23-24-18(14-31-23)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,25,28)
InChIKeyPNVCWBDQBNABNJ-UHFFFAOYSA-N
XLogP4.50
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)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

2-(3,4-dimethoxyphenyl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]acetamide
CID 51700906
2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 27477372
N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 25282198
N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 25282145
(E)-3-(3,4-dimethoxyphenyl)-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]prop-2-enamide
CID 25281736
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2342605
2-chloro-N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 25282155
2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25282015
N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-nitrobenzamide
CID 25281523
2-chloro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide
CID 25281972
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide (CID 25281558) is 2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide is COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is PNVCWBDQBNABNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15-11-21(25-22(28)13-16-9-10-19(29-2)20(12-16)30-3)27(26-15)23-24-18(14-31-23)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,25,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 25281558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).