Basic information
- Standard SMILES
CCOC(=O)c1c(C)nn(-c2ccccn2)c1C- InChIKey
JQAHBYXZJLHKRD-UHFFFAOYSA-N- Molecular formula
- C13H15N3O2
- Average molar mass
- 245.28 g/mol
Names & identifiers
- Preferred name
- 3,5-dimethyl-1-pyridin-2-yl-1H-pyrazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate
Names & synonyms
SCHEMBL123446JQAHBYXZJLHKRD-UHFFFAOYSA-N3,5-dimethyl-1-pyridin-2-yl-1H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 9856256
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
6 records
Compound notes
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