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

C19H20N6O2S — CID 92571410

IUPAC2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(CN1CCCC1=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1
InChIInChI=1S/C19H20N6O2S/c26-17(13-24-8-1-4-18(24)27)22-7-9-25-19(16-3-2-10-28-16)14(11-23-25)15-12-20-5-6-21-15/h2-3,5-6,10-12H,1,4,7-9,13H2,(H,22,26)
InChIKeyTXHVFFVCYZBBOO-UHFFFAOYSA-N
MW396.48 g/mol
LogP1.81
Rot. Bonds7

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

2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 92571410) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID92571410
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(CN1CCCC1=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1
InChIInChI=1S/C19H20N6O2S/c26-17(13-24-8-1-4-18(24)27)22-7-9-25-19(16-3-2-10-28-16)14(11-23-25)15-12-20-5-6-21-15/h2-3,5-6,10-12H,1,4,7-9,13H2,(H,22,26)
InChIKeyTXHVFFVCYZBBOO-UHFFFAOYSA-N
XLogP1.81
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 110238846
(2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide
CID 92551502
2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92595562
2-fluoro-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 92572426
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide
CID 92584526
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 110238841
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
cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 92583684
N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 92596463
4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92597233
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 117093615

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (CID 92571410) is 2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is O=C(CN1CCCC1=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is TXHVFFVCYZBBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c26-17(13-24-8-1-4-18(24)27)22-7-9-25-19(16-3-2-10-28-16)14(11-23-25)15-12-20-5-6-21-15/h2-3,5-6,10-12H,1,4,7-9,13H2,(H,22,26).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 396.48 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 92571410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).