2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

C12H13N3O — CID 103124629

IUPAC2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESO=C(CC1CCC1)c1cnn2ccncc12
InChIInChI=1S/C12H13N3O/c16-12(6-9-2-1-3-9)10-7-14-15-5-4-13-8-11(10)15/h4-5,7-9H,1-3,6H2
InChIKeyBAUMIKNXWUQCMJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.10
Rot. Bonds3

About 2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (PubChem CID 103124629) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
PubChem CID103124629
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESO=C(CC1CCC1)c1cnn2ccncc12
InChIInChI=1S/C12H13N3O/c16-12(6-9-2-1-3-9)10-7-14-15-5-4-13-8-11(10)15/h4-5,7-9H,1-3,6H2
InChIKeyBAUMIKNXWUQCMJ-UHFFFAOYSA-N
XLogP2.10
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-one
CID 114192929
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124878
2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103116719
1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one
CID 103123919
1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927
N-cyclopentylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119999
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124105
pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103128870
1-(5-bromo-1-methylpyrazol-4-yl)-2-cyclobutylethanone
CID 130877669
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 99779011

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The IUPAC name of 2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (CID 103124629) is 2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.
What is the SMILES notation for 2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The canonical SMILES for 2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is O=C(CC1CCC1)c1cnn2ccncc12.
What is the InChIKey of 2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The InChIKey is BAUMIKNXWUQCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12(6-9-2-1-3-9)10-7-14-15-5-4-13-8-11(10)15/h4-5,7-9H,1-3,6H2.
What are the key properties of 2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone has a molecular weight of 215.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is sourced from PubChem (CID 103124629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).