Basic information
- CAS
34614-29-4- Standard SMILES
CCCCOc1nn(-c2cccc(C(F)(F)F)c2)c2ncccc12- InChIKey
JYEZATRKDHFEPJ-UHFFFAOYSA-N- Molecular formula
- C17H16F3N3O
- Average molar mass
- 335.32 g/mol
- Monoisotopic mass
- 335.12454663
Names & identifiers
- Preferred name
- 1H-Pyrazolo(3,4-b)pyridine, 3-butoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-
- IUPAC
- 3-butoxy-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine
- English name
- 3-Butoxy-1-(α,α,α-trifluoro-m-tolyl)-1H-pyrazolo[3,4-b]pyridine
- Molecular formula
- C17H16F3N3O
- Molecular weight
- 335.32
Names & synonyms
34614-29-4ITF 1034BRN 06992801H-Pyrazolo(3,4-b)pyridine, 3-butoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-DTXSID901881841H-Pyrazolo(3,4-b)pyridine, 3-butoxy-1-(3-(trifluromethyl)phenyl)-3-Butoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridine3-Butoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo[3,4-b]pyridineRefChem:240085DTXCID201106751H-Pyrazolo(3,4-b)pyridine, 3-butoxy-1-(3-(trifluromethyl)phenyl)-(9CI)3-butoxy-1-[3-(trifluoromethyl)phenyl]-1h-pyrazolo[3,4-b]pyridine
Show more names
ITF-10343-Butoxy-1-(α,α,α-trifluoro-m-tolyl)-1H-pyrazolo[3,4-b]pyridine1H-Pyrazolo[3,4-b]pyridine, 3-butoxy-1-[3-(trifluoromethyl)phenyl]-
3-Butoxy-1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridine3-Butoxy-1-[3-(Trifluoromethyl)Phenyl]Pyrazolo[5,4-b]Pyridine
Database identifiers
- CAS
34614-29-4- PubChem CID
- 214930
- DTXSID
DTXSID90188184- Nikkaji
- J78.781G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 407
Physicochemical properties
- Boiling point
- 372 · 372.0±42.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 2.65 · 2.65±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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