Basic information
- Standard SMILES
Cc1c(-c2ccccc2N)c(C#N)nn1C- InChIKey
DPHXJAHQFXLCDY-UHFFFAOYSA-N- Molecular formula
- C12H12N4
- Average molar mass
- 212.25 g/mol
Names & identifiers
- Preferred name
- 4-(2-aminophenyl)-1,5-dimethyl-1H-pyrazole-3-carbonitrile
- IUPAC
- 4-(2-aminophenyl)-1,5-dimethylpyrazole-3-carbonitrile
Names & synonyms
SCHEMBL1233435DPHXJAHQFXLCDY-UHFFFAOYSA-N4-(2-aminophenyl)-1,5-dimethyl-1H-pyrazole-3-carbonitrile
Database identifiers
- PubChem CID
- 66958595
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Related reactions
7 records
Compound notes
Loading…