1-Pentanone, 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-
Basic information
- CAS
126571-56-0- Standard SMILES
CCCCC(=O)c1cnn2c1CCCC2- InChIKey
YOIIRZTYFMTNNA-UHFFFAOYSA-N- Molecular formula
- C12H18N2O
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.1419132
Names & identifiers
- Preferred name
- 1-Pentanone, 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-
- IUPAC
- 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pentan-1-one
Names & synonyms
DTXSID3011754711-Pentanone, 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-126571-56-01-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)pentan-1-one
Database identifiers
- CAS
126571-56-0- PubChem CID
- 14435013
- DTXSID
DTXSID301175471
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
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Compound notes
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