2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

C16H15N3O — CID 103124015

IUPAC2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESCc1ccc(C)c(CC(=O)c2cnn3ccncc23)c1
InChIInChI=1S/C16H15N3O/c1-11-3-4-12(2)13(7-11)8-16(20)14-9-18-19-6-5-17-10-15(14)19/h3-7,9-10H,8H2,1-2H3
InChIKeyMVXZDFHLAZMTNN-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.77
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone

2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (PubChem CID 103124015) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
PubChem CID103124015
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
SMILESCc1ccc(C)c(CC(=O)c2cnn3ccncc23)c1
InChIInChI=1S/C16H15N3O/c1-11-3-4-12(2)13(7-11)8-16(20)14-9-18-19-6-5-17-10-15(14)19/h3-7,9-10H,8H2,1-2H3
InChIKeyMVXZDFHLAZMTNN-UHFFFAOYSA-N
XLogP2.77
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927
2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 107311523
2-(2-chloro-4-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124249
2-(2,6-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103125577
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124905
1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-yn-1-one
CID 103123919
2-(3-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124381
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
N-(3-hydroxy-4-methylphenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119627
4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103124100
1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione
CID 103119514
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124629

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone (CID 103124015) is 2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is Cc1ccc(C)c(CC(=O)c2cnn3ccncc23)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
The InChIKey is MVXZDFHLAZMTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-3-4-12(2)13(7-11)8-16(20)14-9-18-19-6-5-17-10-15(14)19/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone?
2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone has a molecular weight of 265.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone is sourced from PubChem (CID 103124015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).