5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

C15H15N3OS — CID 154854226

IUPAC5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)=CCn1ccn2nc(-c3cccs3)cc2c1=O
InChIInChI=1S/C15H15N3OS/c1-11(2)5-6-17-7-8-18-13(15(17)19)10-12(16-18)14-4-3-9-20-14/h3-5,7-10H,6H2,1-2H3
InChIKeyLSXANHJLSAUIJB-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.19
Rot. Bonds3

About 5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 154854226) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID154854226
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)=CCn1ccn2nc(-c3cccs3)cc2c1=O
InChIInChI=1S/C15H15N3OS/c1-11(2)5-6-17-7-8-18-13(15(17)19)10-12(16-18)14-4-3-9-20-14/h3-5,7-10H,6H2,1-2H3
InChIKeyLSXANHJLSAUIJB-UHFFFAOYSA-N
XLogP3.19
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(2-fluorophenyl)methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 53043180
5-[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 125127749
5-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 125126981
5-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
CID 53043167
N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 53334274
2-phenyl-5-propylpyrazolo[1,5-a]pyrazin-4-one
CID 91886931
2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
CID 82445328
4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
CID 82446954
(Z)-2-methyl-4-(4-oxopyrazolo[1,5-a]pyrazin-5-yl)but-2-enoic acid
CID 104734602
N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 46857517
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 53332269
1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-ol
CID 56771072

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 154854226) is 5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is CC(C)=CCn1ccn2nc(-c3cccs3)cc2c1=O.
What is the InChIKey of 5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is LSXANHJLSAUIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11(2)5-6-17-7-8-18-13(15(17)19)10-12(16-18)14-4-3-9-20-14/h3-5,7-10H,6H2,1-2H3.
What are the key properties of 5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 285.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbut-2-enyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 154854226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).