5-Amino-1-(2,6-dimethylphenyl)-1H-pyrazole-4-carbonitrile

HCID 12150554

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

Related reactions

5 records

Compound notes

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