5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C17H21N3O2 — CID 44589374

IUPAC5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCN1CCn2nc(-c3ccc(OC)cc3)cc2C1=O
InChIInChI=1S/C17H21N3O2/c1-3-4-9-19-10-11-20-16(17(19)21)12-15(18-20)13-5-7-14(22-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyXUKURMKHGNPDOY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.81
Rot. Bonds5

About 5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 44589374) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID44589374
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCN1CCn2nc(-c3ccc(OC)cc3)cc2C1=O
InChIInChI=1S/C17H21N3O2/c1-3-4-9-19-10-11-20-16(17(19)21)12-15(18-20)13-5-7-14(22-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyXUKURMKHGNPDOY-UHFFFAOYSA-N
XLogP2.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 44589374) is 5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CCCCN1CCn2nc(-c3ccc(OC)cc3)cc2C1=O.
What is the InChIKey of 5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is XUKURMKHGNPDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-4-9-19-10-11-20-16(17(19)21)12-15(18-20)13-5-7-14(22-2)8-6-13/h5-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 299.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 44589374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).