Basic information
- Standard SMILES
Cc1nn(CC(=O)OCc2ccccc2)c(C)c1CN(C)C- InChIKey
PKKAIMYYJSHNKG-UHFFFAOYSA-N- Molecular formula
- C17H23N3O2
- Average molar mass
- 301.4 g/mol
Names & identifiers
- Preferred name
- benzyl 2-(4-((dimethylamino)methyl)-3,5-dimethyl-1H-pyrazol-1-yl)acetate
- IUPAC
- benzyl 2-[4-[(dimethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
Names & synonyms
SCHEMBL15157094PKKAIMYYJSHNKG-UHFFFAOYSA-NDB-108466benzyl 2-(4-((dimethylamino)methyl)-3,5-dimethyl-1H-pyrazol-1-yl)acetate1449369-12-3
Database identifiers
- PubChem CID
- 89726461
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 356
Related reactions
1 records
Compound notes
Loading…