5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole

C11H9ClN4OS — CID 19332783

IUPAC5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCn1ncc(Cl)c1-c1nc(-c2cccs2)no1
InChIInChI=1S/C11H9ClN4OS/c1-2-16-9(7(12)6-13-16)11-14-10(15-17-11)8-4-3-5-18-8/h3-6H,2H2,1H3
InChIKeyZCDDIJKQAILKDK-UHFFFAOYSA-N
MW280.74 g/mol
LogP3.33
Rot. Bonds3

About 5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole

5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 19332783) has the molecular formula C11H9ClN4OS and a molecular weight of 280.74 g/mol. Its IUPAC name is 5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID19332783
Molecular FormulaC11H9ClN4OS
Molecular Weight280.74 g/mol
Exact Mass280.02
IUPAC Name5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCn1ncc(Cl)c1-c1nc(-c2cccs2)no1
InChIInChI=1S/C11H9ClN4OS/c1-2-16-9(7(12)6-13-16)11-14-10(15-17-11)8-4-3-5-18-8/h3-6H,2H2,1H3
InChIKeyZCDDIJKQAILKDK-UHFFFAOYSA-N
XLogP3.33
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53138563
5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718742
5-(6-ethylsulfanyl-3-pyridinyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 167949067
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
2-ethyl-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 113308657
5-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332929
N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698799
5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 99130250
5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 141467458
5-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95153364
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
5-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037450

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 19332783) is 5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is CCn1ncc(Cl)c1-c1nc(-c2cccs2)no1.
What is the InChIKey of 5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is ZCDDIJKQAILKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4OS/c1-2-16-9(7(12)6-13-16)11-14-10(15-17-11)8-4-3-5-18-8/h3-6H,2H2,1H3.
What are the key properties of 5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 280.74 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-ethylpyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 19332783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).