1-(2-Ethoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
Basic information
- CAS
159976-76-8- Standard SMILES
CCOc1cc2ncc(C(C)=O)c(C)n2n1- InChIKey
YEXJBQLYCVBEMS-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077667
Names & identifiers
- Preferred name
- 1-(2-Ethoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
- IUPAC
- 1-(2-ethoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
- English name
- Ethanone,1-(2-ethoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(9CI)
- Molecular formula
- C11H13N3O2
- Molecular weight
- 219.24
Names & synonyms
159976-76-81-(2-ethoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone1-{2-ethoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl}ethan-1-oneEthanone,1-(2-ethoxy-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(9CI)DB-286946ETHANONE, 1-(2-ETHOXY-7-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL)-
Database identifiers
- CAS
159976-76-8- PubChem CID
- 10013683
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 0.19 · 0.19±0.30(Predicted)
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Related reactions
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Compound notes
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