Basic information
- Standard SMILES
Cn1[nH]c(=O)c2c1NC1=C(C(=O)CC1)C2c1ccc(F)c(C(F)(F)F)c1- InChIKey
ZILHRNNPPFIEAI-UHFFFAOYSA-N- Molecular formula
- C17H13F4N3O2
- Average molar mass
- 367.3 g/mol
Names & identifiers
- Preferred name
- 4-[4-Fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1,2,4,6,7,8-hexahydrocyclopenta[b]pyrazolo[4,3-e]pyridine-3,5-dione
- IUPAC
- 8-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
Names & synonyms
4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methyl-1,2,4,6,7,8-hexahydrocyclopenta[b]pyrazolo[4,3-e]pyridine-3,5-dioneSCHEMBL6644720
Database identifiers
- PubChem CID
- 10109520
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 743
Related reactions
2 records
Compound notes
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