Basic information
- Standard SMILES
N[C@@H](Cc1ccc(C(F)(F)F)cc1)Cn1cc(-c2ccc3cnccc3c2)cn1- InChIKey
VLUCNXYRVLYOGN-NRFANRHFSA-N- Molecular formula
- C22H19F3N4
- Average molar mass
- 396.4 g/mol
Names & identifiers
- Preferred name
- (2S)-1-(4-(Isoquinolin-6-yl)-1H-pyrazol-1-yl)-3-(4-(trifluoromethyl)phenyl)-propan-2-amine
- IUPAC
- (2S)-1-(4-isoquinolin-6-ylpyrazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine
Names & synonyms
(2S)-1-(4-(Isoquinolin-6-yl)-1H-pyrazol-1-yl)-3-(4-(trifluoromethyl)phenyl)-propan-2-amineSCHEMBL1519840
Database identifiers
- PubChem CID
- 57950501
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 521
Related reactions
1 records
Compound notes
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