4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one

C11H13N3O3S — CID 103124100

IUPAC4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
SMILESCS(=O)(=O)CCCC(=O)c1cnn2ccncc12
InChIInChI=1S/C11H13N3O3S/c1-18(16,17)6-2-3-11(15)9-7-13-14-5-4-12-8-10(9)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyRFYQECVUSKKKBT-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.74
Rot. Bonds5

About 4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one

4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one (PubChem CID 103124100) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one.

Molecular Properties

Compound Name4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
PubChem CID103124100
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
SMILESCS(=O)(=O)CCCC(=O)c1cnn2ccncc12
InChIInChI=1S/C11H13N3O3S/c1-18(16,17)6-2-3-11(15)9-7-13-14-5-4-12-8-10(9)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyRFYQECVUSKKKBT-UHFFFAOYSA-N
XLogP0.74
TPSA81.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927
1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one
CID 103123919
3-cyclopentyl-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-one
CID 114192929
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
N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103126404
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124629
methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
CID 103121150
2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124015
2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124381
1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione
CID 103119514
2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103125577

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one?
The IUPAC name of 4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one (CID 103124100) is 4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one.
What is the SMILES notation for 4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one?
The canonical SMILES for 4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one is CS(=O)(=O)CCCC(=O)c1cnn2ccncc12.
What is the InChIKey of 4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one?
The InChIKey is RFYQECVUSKKKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-18(16,17)6-2-3-11(15)9-7-13-14-5-4-12-8-10(9)14/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one?
4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one has a molecular weight of 267.31 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one is sourced from PubChem (CID 103124100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).