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

C21H18FN5OS — CID 92572524

IUPAC2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1F)NCCn1ncc(-c2cnccn2)c1-c1cccs1
InChIInChI=1S/C21H18FN5OS/c22-17-5-2-1-4-15(17)12-20(28)25-9-10-27-21(19-6-3-11-29-19)16(13-26-27)18-14-23-7-8-24-18/h1-8,11,13-14H,9-10,12H2,(H,25,28)
InChIKeyWSXISRXTWUWKIC-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.57
Rot. Bonds7

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

2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 92572524) has the molecular formula C21H18FN5OS and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID92572524
Molecular FormulaC21H18FN5OS
Molecular Weight407.47 g/mol
Exact Mass407.12
IUPAC Name2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1F)NCCn1ncc(-c2cnccn2)c1-c1cccs1
InChIInChI=1S/C21H18FN5OS/c22-17-5-2-1-4-15(17)12-20(28)25-9-10-27-21(19-6-3-11-29-19)16(13-26-27)18-14-23-7-8-24-18/h1-8,11,13-14H,9-10,12H2,(H,25,28)
InChIKeyWSXISRXTWUWKIC-UHFFFAOYSA-N
XLogP3.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 92572426
2-(4-methoxyphenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92595562
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
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
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
(2S)-2-piperidin-1-yl-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]propanamide
CID 92551502
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 110238841
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-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92572526
4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92597233

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (CID 92572524) is 2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is O=C(Cc1ccccc1F)NCCn1ncc(-c2cnccn2)c1-c1cccs1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is WSXISRXTWUWKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5OS/c22-17-5-2-1-4-15(17)12-20(28)25-9-10-27-21(19-6-3-11-29-19)16(13-26-27)18-14-23-7-8-24-18/h1-8,11,13-14H,9-10,12H2,(H,25,28).
What are the key properties of 2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 92572524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).