5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
Basic information
- CAS
86398-96-1- Standard SMILES
N#Cc1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N- InChIKey
YJHMXFBILMSTSZ-UHFFFAOYSA-N- Molecular formula
- C11H5Cl2F3N4
- Average molar mass
- 321.08 g/mol
- Monoisotopic mass
- 319.9843361
Names & identifiers
- Preferred name
- 5-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
- IUPAC
- 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
Names & synonyms
RefChem:2399685-Amino-4-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-4-carbonitrile86398-96-15-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonitrileMaybridge3_006546SCHEMBL8026458CHEMBL2272821YJHMXFBILMSTSZ-UHFFFAOYSA-NDTXSID901006802HMS1449J12
Show more names
CCG-245585IDI1_0179331H-Pyrazole-4-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-
Database identifiers
- CAS
86398-96-1- PubChem CID
- 119322
- DTXSID
DTXSID901006802- ChEMBL
CHEMBL2272821- Nikkaji
- J328.142F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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