Basic information
- Standard SMILES
Cc1cccc(C)c1-n1ncc(C#N)c1N- InChIKey
FPVIDOYHNCLVCH-UHFFFAOYSA-N- Molecular formula
- C12H12N4
- Average molar mass
- 212.25 g/mol
Names & identifiers
- Preferred name
- 5-Amino-1-(2,6-dimethylphenyl)-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-amino-1-(2,6-dimethylphenyl)pyrazole-4-carbonitrile
Names & synonyms
792952-99-95-Amino-1-(2,6-dimethylphenyl)-1H-pyrazole-4-carbonitrile5-AMINO-1-(2,6-DIMETHYLPHENYL)PYRAZOLE-4-CARBONITRILEMFCD119366801H-Pyrazole-4-carbonitrile,5-amino-1-(2,6-dimethylphenyl)-(9CI)SCHEMBL1457396FPVIDOYHNCLVCH-UHFFFAOYSA-NDB-267976G66795F5113121H-Pyrazole-4-carbonitrile, 5-amino-1-(2,6-dimethylphenyl)-5-Amino-1-(2,6-dimethyl-phenyl)-1H-pyrazole-4-carbonitrile
Database identifiers
- PubChem CID
- 12150554
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 285
Related reactions
5 records
Compound notes
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