Methyl 3-ethoxy-4-(1-methylpyrazol-4-yl)benzoate
Basic information
- Standard SMILES
CCOc1cc(C(=O)OC)ccc1-c1cnn(C)c1- InChIKey
OWDSAKBSNJSDTB-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Names & identifiers
- Preferred name
- Methyl 3-ethoxy-4-(1-methylpyrazol-4-yl)benzoate
- IUPAC
- methyl 3-ethoxy-4-(1-methylpyrazol-4-yl)benzoate
Names & synonyms
SCHEMBL731854OWDSAKBSNJSDTB-UHFFFAOYSA-Nmethyl 3-ethoxy-4-(1-methylpyrazol-4-yl)benzoateMethyl 3-ethoxy-4-(1-methyl-pyrazol-4-yl)benzoate
Database identifiers
- PubChem CID
- 57930994
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Related reactions
3 records
Compound notes
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