2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide

C22H21N5O2S — CID 92595562

IUPAC2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)cc1
InChIInChI=1S/C22H21N5O2S/c1-29-17-6-4-16(5-7-17)13-21(28)25-10-11-27-22(20-3-2-12-30-20)18(14-26-27)19-15-23-8-9-24-19/h2-9,12,14-15H,10-11,13H2,1H3,(H,25,28)
InChIKeyIEZMWEBHQUDGQS-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.44
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide

2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 92595562) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID92595562
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)cc1
InChIInChI=1S/C22H21N5O2S/c1-29-17-6-4-16(5-7-17)13-21(28)25-10-11-27-22(20-3-2-12-30-20)18(14-26-27)19-15-23-8-9-24-19/h2-9,12,14-15H,10-11,13H2,1H3,(H,25,28)
InChIKeyIEZMWEBHQUDGQS-UHFFFAOYSA-N
XLogP3.44
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]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-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92572524
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92571415
2-fluoro-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 92572426
N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 110238846
2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92571410
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide
CID 92584526
(2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide
CID 92551502
N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 92571417
2-pyridin-2-yl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92577365
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 110238841
4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92597233
N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 92596463

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (CID 92595562) is 2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is COc1ccc(CC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is IEZMWEBHQUDGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-29-17-6-4-16(5-7-17)13-21(28)25-10-11-27-22(20-3-2-12-30-20)18(14-26-27)19-15-23-8-9-24-19/h2-9,12,14-15H,10-11,13H2,1H3,(H,25,28).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 419.51 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 92595562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).