5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

C20H15N5O2S — CID 27372982

IUPAC5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccccc1-c1noc(Cn2ccn3nc(-c4cccs4)cc3c2=O)n1
InChIInChI=1S/C20H15N5O2S/c1-13-5-2-3-6-14(13)19-21-18(27-23-19)12-24-8-9-25-16(20(24)26)11-15(22-25)17-7-4-10-28-17/h2-11H,12H2,1H3
InChIKeyRAOXFMWAYDMGIV-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.63
Rot. Bonds4

About 5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27372982) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is 5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID27372982
Molecular FormulaC20H15N5O2S
Molecular Weight389.44 g/mol
Exact Mass389.09
IUPAC Name5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccccc1-c1noc(Cn2ccn3nc(-c4cccs4)cc3c2=O)n1
InChIInChI=1S/C20H15N5O2S/c1-13-5-2-3-6-14(13)19-21-18(27-23-19)12-24-8-9-25-16(20(24)26)11-15(22-25)17-7-4-10-28-17/h2-11H,12H2,1H3
InChIKeyRAOXFMWAYDMGIV-UHFFFAOYSA-N
XLogP3.63
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 27372982) is 5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is Cc1ccccc1-c1noc(Cn2ccn3nc(-c4cccs4)cc3c2=O)n1.
What is the InChIKey of 5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RAOXFMWAYDMGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S/c1-13-5-2-3-6-14(13)19-21-18(27-23-19)12-24-8-9-25-16(20(24)26)11-15(22-25)17-7-4-10-28-17/h2-11H,12H2,1H3.
What are the key properties of 5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 389.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27372982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).