4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide

C18H16N6O2S — CID 92597233

IUPAC4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCCn1ncc(-c2ccccn2)c1-c1cccs1
InChIInChI=1S/C18H16N6O2S/c1-12-16(23-26-22-12)18(25)20-8-9-24-17(15-6-4-10-27-15)13(11-21-24)14-5-2-3-7-19-14/h2-7,10-11H,8-9H2,1H3,(H,20,25)
InChIKeyCGBUDOCFFLELDV-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.80
Rot. Bonds6

About 4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 92597233) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID92597233
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCCn1ncc(-c2ccccn2)c1-c1cccs1
InChIInChI=1S/C18H16N6O2S/c1-12-16(23-26-22-12)18(25)20-8-9-24-17(15-6-4-10-27-15)13(11-21-24)14-5-2-3-7-19-14/h2-7,10-11H,8-9H2,1H3,(H,20,25)
InChIKeyCGBUDOCFFLELDV-UHFFFAOYSA-N
XLogP2.80
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-pyridin-2-yl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92577365
N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 92596463
cis-(1S,2R)-2-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 92583684
2-fluoro-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 92572426
2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92572524
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
N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 92571417
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
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-oxopyrrolidin-1-yl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92571410

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 92597233) is 4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NCCn1ncc(-c2ccccn2)c1-c1cccs1.
What is the InChIKey of 4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is CGBUDOCFFLELDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-12-16(23-26-22-12)18(25)20-8-9-24-17(15-6-4-10-27-15)13(11-21-24)14-5-2-3-7-19-14/h2-7,10-11H,8-9H2,1H3,(H,20,25).
What are the key properties of 4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-pyridin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 92597233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).