2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

C12H11N5O — CID 103124105

IUPAC2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESCn1cc(CC(=O)c2cnn3ccncc23)cn1
InChIInChI=1S/C12H11N5O/c1-16-8-9(5-14-16)4-12(18)10-6-15-17-3-2-13-7-11(10)17/h2-3,5-8H,4H2,1H3
InChIKeyYIEYDZISJNHVBT-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.89
Rot. Bonds3

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

2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (PubChem CID 103124105) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
PubChem CID103124105
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESCn1cc(CC(=O)c2cnn3ccncc23)cn1
InChIInChI=1S/C12H11N5O/c1-16-8-9(5-14-16)4-12(18)10-6-15-17-3-2-13-7-11(10)17/h2-3,5-8H,4H2,1H3
InChIKeyYIEYDZISJNHVBT-UHFFFAOYSA-N
XLogP0.89
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.89
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
2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124015
1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one
CID 103123919
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124629
2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 107311523
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124249
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 102802676
1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 105084447
3-cyclopentyl-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-one
CID 114192929
4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103124100
2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124381

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (CID 103124105) is 2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is Cn1cc(CC(=O)c2cnn3ccncc23)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The InChIKey is YIEYDZISJNHVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-16-8-9(5-14-16)4-12(18)10-6-15-17-3-2-13-7-11(10)17/h2-3,5-8H,4H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone has a molecular weight of 241.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is sourced from PubChem (CID 103124105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).