5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C11H17N3O — CID 18740840

IUPAC5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCN1CCn2nc(C)cc2C1=O
InChIInChI=1S/C11H17N3O/c1-3-4-5-13-6-7-14-10(11(13)15)8-9(2)12-14/h8H,3-7H2,1-2H3
InChIKeyTUAFJIJCIXJLRC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.45
Rot. Bonds3

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

5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 18740840) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID18740840
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCN1CCn2nc(C)cc2C1=O
InChIInChI=1S/C11H17N3O/c1-3-4-5-13-6-7-14-10(11(13)15)8-9(2)12-14/h8H,3-7H2,1-2H3
InChIKeyTUAFJIJCIXJLRC-UHFFFAOYSA-N
XLogP1.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 18740840) is 5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CCCCN1CCn2nc(C)cc2C1=O.
What is the InChIKey of 5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is TUAFJIJCIXJLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-4-5-13-6-7-14-10(11(13)15)8-9(2)12-14/h8H,3-7H2,1-2H3.
What are the key properties of 5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 207.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 18740840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).