5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one

C11H13N3O2 — CID 104735069

IUPAC5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCC(=O)C(C)n1ccn2nccc2c1=O
InChIInChI=1S/C11H13N3O2/c1-3-10(15)8(2)13-6-7-14-9(11(13)16)4-5-12-14/h4-8H,3H2,1-2H3
InChIKeyRKIRDJSNRUAGJK-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.04
Rot. Bonds3

About 5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one

5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735069) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735069
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCC(=O)C(C)n1ccn2nccc2c1=O
InChIInChI=1S/C11H13N3O2/c1-3-10(15)8(2)13-6-7-14-9(11(13)16)4-5-12-14/h4-8H,3H2,1-2H3
InChIKeyRKIRDJSNRUAGJK-UHFFFAOYSA-N
XLogP1.04
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one (CID 104735069) is 5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one is CCC(=O)C(C)n1ccn2nccc2c1=O.
What is the InChIKey of 5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RKIRDJSNRUAGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-10(15)8(2)13-6-7-14-9(11(13)16)4-5-12-14/h4-8H,3H2,1-2H3.
What are the key properties of 5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one?
5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 219.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).