Basic information
- Standard SMILES
COc1ccc2c(-c3ccc(C(F)(F)F)cc3)nc(Nc3cc[nH]n3)cc2c1- InChIKey
YNOZAIGOJFIDGT-UHFFFAOYSA-N- Molecular formula
- C20H15F3N4O
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.1197956
Names & identifiers
- Preferred name
- [6-methoxy-1-(4-trifluoromethyl-phenyl)-isoquinolin-3-yl]-(1H-pyrazol-3-yl)-amine
- IUPAC
- 6-methoxy-N-(1H-pyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]isoquinolin-3-amine
Names & synonyms
[6-methoxy-1-(4-trifluoromethyl-phenyl)-isoquinolin-3-yl]-(1H-pyrazol-3-yl)-amineSCHEMBL3963975
Database identifiers
- PubChem CID
- 23633226
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 512
Related reactions
2 records
Compound notes
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