1H-Pyrazole, 3-(difluoromethyl)-1-(4-methoxyphenyl)-5-(4-(methylsulfinyl)phenyl)-, (R)-
Basic information
- CAS
151507-21-0- Standard SMILES
COc1ccc(-n2nc(C(F)F)cc2-c2ccc([S@@](C)=O)cc2)cc1- InChIKey
JJAPPCJXQFKMJL-RUZDIDTESA-N- Molecular formula
- C18H16F2N2O2S
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.09005526
Names & identifiers
- Preferred name
- 1H-Pyrazole, 3-(difluoromethyl)-1-(4-methoxyphenyl)-5-(4-(methylsulfinyl)phenyl)-, (R)-
- IUPAC
- 3-(difluoromethyl)-1-(4-methoxyphenyl)-5-[4-[(R)-methylsulfinyl]phenyl]pyrazole
Names & synonyms
UNII-042U8ZNT9W042U8ZNT9WFR-140423, (R)-SCHEMBL75280081H-Pyrazole, 3-(difluoromethyl)-1-(4-methoxyphenyl)-5-(4-(methylsulfinyl)phenyl)-, (R)-JJAPPCJXQFKMJL-RUZDIDTESA-N151507-21-0(R)-fr-140423Q27895883
Database identifiers
- CAS
151507-21-0- PubChem CID
- 10522652
- UNII
- 042U8ZNT9W
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 452
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…