Basic information
- Standard SMILES
CCOC(=O)c1ccc2c(c(C)nn2C)c1C#N- InChIKey
BTGAYORYESGVIN-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
Names & identifiers
- Preferred name
- ethyl 4-cyano-1,3-dimethyl-1H-indazole-5-carboxylate
- IUPAC
- ethyl 4-cyano-1,3-dimethylindazole-5-carboxylate
Names & synonyms
SCHEMBL8952939BTGAYORYESGVIN-UHFFFAOYSA-Nethyl 4-cyano-1,3-dimethyl-1H-indazole-5-carboxylate
Database identifiers
- PubChem CID
- 22402968
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 376
Related reactions
7 records
Compound notes
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