Basic information
- Standard SMILES
Cn1nccc1-c1cccc(C(=O)CC(=O)OC(C)(C)C)c1- InChIKey
JUZXQJPXPXGYEY-UHFFFAOYSA-N- Molecular formula
- C17H20N2O3
- Average molar mass
- 300.35 g/mol
- Monoisotopic mass
- 300.1473925
Names & identifiers
- Preferred name
- 3-[3-(2-methyl-2H-pyrazol-3-yl)-phenyl]-3-oxo-propionic acid tert.-butyl ester
- IUPAC
- tert-butyl 3-[3-(2-methylpyrazol-3-yl)phenyl]-3-oxopropanoate
Names & synonyms
SCHEMBL6165934JUZXQJPXPXGYEY-UHFFFAOYSA-N3-[3-(2-methyl-2H-pyrazol-3-yl)-phenyl]-3-oxo-propionic acid tert.-butyl ester
Database identifiers
- PubChem CID
- 69688564
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Related reactions
6 records
Compound notes
Loading…