2-[3-Chloro-4-(pyrazol-1-yl)phenyl]propionic acid ethyl ester
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Basic information
- Standard SMILES
CCOC(=O)C(C)c1ccc(-n2cccn2)c(Cl)c1- InChIKey
YEOQIVQZOXACDN-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O2
- Average molar mass
- 278.73 g/mol
Names & identifiers
- Preferred name
- 2-[3-Chloro-4-(pyrazol-1-yl)phenyl]propionic acid ethyl ester
- IUPAC
- ethyl 2-(3-chloro-4-pyrazol-1-ylphenyl)propanoate
Names & synonyms
SCHEMBL11492673YEOQIVQZOXACDN-UHFFFAOYSA-N2-[3-chloro-4-(pyrazol-1-yl)phenyl]propionic acid ethyl ester2-[3-chloro-4-(pyrazol-1-yl) phenyl] propionic acid ethyl ester
Database identifiers
- PubChem CID
- 54504233
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
4 records
Compound notes
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