Basic information
- Standard SMILES
COC(=O)Cc1ccc(F)c(-c2cnn(C)c2)c1- InChIKey
IBLZDNJDFQIHTL-UHFFFAOYSA-N- Molecular formula
- C13H13FN2O2
- Average molar mass
- 248.25 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(4-fluoro-3-(1-methyl-1H-pyrazol-4-yl)phenyl)acetate
- IUPAC
- methyl 2-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]acetate
Names & synonyms
SCHEMBL1559773IBLZDNJDFQIHTL-UHFFFAOYSA-NMethyl 2-(4-fluoro-3-(1-methyl-1H-pyrazol-4-yl)phenyl)acetate
Database identifiers
- PubChem CID
- 59290381
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Related reactions
3 records
Compound notes
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