ethyl {3-[1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]phenyl}acetate
Basic information
- Standard SMILES
CCOC(=O)Cc1cccc(-c2cnn(C3CCCCO3)c2)c1- InChIKey
GLUUGIWPCOMHLT-UHFFFAOYSA-N- Molecular formula
- C18H22N2O3
- Average molar mass
- 314.4 g/mol
Names & identifiers
- Preferred name
- ethyl {3-[1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]phenyl}acetate
- IUPAC
- ethyl 2-[3-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]acetate
Names & synonyms
GLUUGIWPCOMHLT-UHFFFAOYSA-Nethyl {3-[1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]phenyl}acetate
Database identifiers
- PubChem CID
- 86731997
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 390
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Related reactions
2 records
Compound notes
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