Basic information
- Standard SMILES
CCOC(=O)c1cnn(-c2ccc(OCC)cc2)c1C- InChIKey
XJFFDVLPHSMUOC-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
Names & identifiers
- Preferred name
- 1-(4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-(4-ethoxyphenyl)-5-methylpyrazole-4-carboxylate
Names & synonyms
1-(4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carboxylic acid ethyl esterSCHEMBL15167355XJFFDVLPHSMUOC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86692425
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
- 20
- Formal charge
- 0
- Complexity
- 316
Related reactions
2 records
Compound notes
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