Basic information
- Standard SMILES
CCOC(=O)c1cn(-c2ccccn2)nc1C- InChIKey
DIJJLPYYRDYVKE-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
Names & identifiers
- Preferred name
- ethyl 3-methyl-1-(2-pyridyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 3-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
Names & synonyms
342023-89-6SCHEMBL3835517DIJJLPYYRDYVKE-UHFFFAOYSA-NDA-34071ethyl 3-methyl-1-(2-pyridyl)-1H-pyrazole-4-carboxylate3-methyl-1-pyridin-2-yl-1H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 9877977
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
8 records
Compound notes
Loading…