Basic information
- CAS
34614-30-7- Standard SMILES
CCCOc1nn(-c2cccc(C(F)(F)F)c2)c2ncccc12- InChIKey
WRZHSDWNPDUHPC-UHFFFAOYSA-N- Molecular formula
- C16H14F3N3O
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 321.10889656
Names & identifiers
- Preferred name
- 1H-Pyrazolo(3,4-b)pyridine, 3-propoxy-1-(3-(trifluoromethyl)phenyl)-
- IUPAC
- 3-propoxy-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine
- English name
- 3-Propoxy-1-(α,α,α-trifluoro-m-tolyl)-1H-pyrazolo[3,4-b]pyridine
- Molecular formula
- C16H14F3N3O
- Molecular weight
- 321.2970696
Names & synonyms
34614-30-7ITF 10243-Propoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridineDTXSID501881851H-Pyrazolo(3,4-b)pyridine, 3-propoxy-1-(3-(trifluoromethyl)phenyl)-1H-Pyrazolo(3,4-b)pyridine, 3-propoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-3-Propoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo[3,4-b]pyridineRefChem:240088DTXCID801106761H-Pyrazolo(3,4-b)pyridine, 3-propoxy-1-(3-(trifluoromethyl)phenyl)-(9CI)3-propoxy-1-[3-(trifluoromethyl)phenyl]-1h-pyrazolo[3,4-b]pyridine3-Propoxy-1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridine
Show more names
ITF-10243-Propoxy-1-(α,α,α-trifluoro-m-tolyl)-1H-pyrazolo[3,4-b]pyridine
1H-Pyrazolo(3,4-b)pyridine, 3-propoxy-1-(3-(trifluoromethyl)phenyl)- (9CI)
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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