Basic information
- CAS
856225-89-3- Standard SMILES
N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C1(C(F)(F)F)CC1(F)F- InChIKey
VBAVKJPWXSLDSG-UHFFFAOYSA-N- Molecular formula
- C15H6Cl2F8N4
- Average molar mass
- 465.1 g/mol
- Monoisotopic mass
- 463.9841769
Names & identifiers
- Preferred name
- Sisapronil
- IUPAC
- 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]pyrazole-3-carbonitrile
Names & synonyms
Sisapronil856225-89-3Sisapronilo8HTT8BIO11PF-0241851sisapronilumRefChem:886366Sisapronil, (+)-Sisapronil, (-)-464VIA2UJGI1C8FLW58C1H-Pyrazole-3-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(2,2-difluoro-1-(trifluoromethyl)cyclopropyl)-
Show more names
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[2,2-difluoro-1-(trifluoromethyl)cyclopropyl]pyrazole-3-carbonitrile1H-Pyrazole-3-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(2,2-difluoro-1-(trifluoromethyl)cyclopropyl)-, (+)-1H-Pyrazole-3-carbonitrile, 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(2,2-difluoro-1-(trifluoromethyl)cyclopropyl)-, (-)-856225-90-6856225-91-7Sisapronil [USAN]Sisapronil [USAN:INN]UNII-8HTT8BIO11
Database identifiers
- CAS
856225-89-3、856225-90-6、856225-91-7- PubChem CID
- 11236633
- ChEMBL
CHEMBL2364634- UNII
- 464VIA2UJG、8HTT8BIO11、I1C8FLW58C
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 695
Chemistry & industry
Uses & manufacturing
Use ClassificationVeterinary Drug -> VETERINARY_DRUG -> JECFA Functional Classes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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