5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

C18H15N3O2S — CID 91917142

IUPAC5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1CC(O)c1ccccc1
InChIInChI=1S/C18H15N3O2S/c22-16(13-5-2-1-3-6-13)12-20-8-9-21-15(18(20)23)11-14(19-21)17-7-4-10-24-17/h1-11,16,22H,12H2
InChIKeyHAYDIRSKNANVSH-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.96
Rot. Bonds4

About 5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91917142) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID91917142
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1CC(O)c1ccccc1
InChIInChI=1S/C18H15N3O2S/c22-16(13-5-2-1-3-6-13)12-20-8-9-21-15(18(20)23)11-14(19-21)17-7-4-10-24-17/h1-11,16,22H,12H2
InChIKeyHAYDIRSKNANVSH-UHFFFAOYSA-N
XLogP2.96
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 91917142) is 5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3cccs3)nn2ccn1CC(O)c1ccccc1.
What is the InChIKey of 5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HAYDIRSKNANVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-16(13-5-2-1-3-6-13)12-20-8-9-21-15(18(20)23)11-14(19-21)17-7-4-10-24-17/h1-11,16,22H,12H2.
What are the key properties of 5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 337.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-2-phenylethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91917142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).