5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

C19H15N3O4S — CID 125126981

IUPAC5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1C[C@@H](O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N3O4S/c23-15(12-3-4-16-17(8-12)26-11-25-16)10-21-5-6-22-14(19(21)24)9-13(20-22)18-2-1-7-27-18/h1-9,15,23H,10-11H2/t15-/m1/s1
InChIKeyKASBLAKKFUSYMQ-OAHLLOKOSA-N
MW381.41 g/mol
LogP2.69
Rot. Bonds4

About 5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125126981) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID125126981
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1C[C@@H](O)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H15N3O4S/c23-15(12-3-4-16-17(8-12)26-11-25-16)10-21-5-6-22-14(19(21)24)9-13(20-22)18-2-1-7-27-18/h1-9,15,23H,10-11H2/t15-/m1/s1
InChIKeyKASBLAKKFUSYMQ-OAHLLOKOSA-N
XLogP2.69
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2R)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 99743797
5-[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 125127749
5-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53180204
5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 53043180
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-methylpyridin-2-one
CID 63172847
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
CID 53333704
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-4-methylpyridin-2-one
CID 62963594
5-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889270
5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889263
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956872
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889183
5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125128815

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 125126981) is 5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3cccs3)nn2ccn1C[C@@H](O)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is KASBLAKKFUSYMQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15N3O4S/c23-15(12-3-4-16-17(8-12)26-11-25-16)10-21-5-6-22-14(19(21)24)9-13(20-22)18-2-1-7-27-18/h1-9,15,23H,10-11H2/t15-/m1/s1.
What are the key properties of 5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 381.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125126981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).