5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(4-pyridyl)pyrazole
Basic information
- Standard SMILES
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccncc1- InChIKey
RBZFRLWIPAKUSS-UHFFFAOYSA-N- Molecular formula
- C16H8Cl2F3N5
- Average molar mass
- 398.2 g/mol
- Monoisotopic mass
- 397.0108852
Names & identifiers
- Preferred name
- 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(4-pyridyl)pyrazole
- IUPAC
- 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-pyridin-4-ylpyrazole-3-carbonitrile
Names & synonyms
5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(4-pyridyl)pyrazoleSCHEMBL6345914
Database identifiers
- PubChem CID
- 9800979
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 536
Related reactions
3 records
Compound notes
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