Basic information
- Standard SMILES
N[C@H](CCn1cc(-c2ccc3cnccc3c2)cn1)Cc1ccc(Cl)cc1- InChIKey
WOUNNAGARGKXAB-JOCHJYFZSA-N- Molecular formula
- C22H21ClN4
- Average molar mass
- 376.9 g/mol
Names & identifiers
- Preferred name
- (2S)-1-(4-Chlorophenyl)-4-(4-(isoquinolin-6-yl)-1H-pyrazol-1-yl)butan-2-amine
- IUPAC
- (2S)-1-(4-chlorophenyl)-4-(4-isoquinolin-6-ylpyrazol-1-yl)butan-2-amine
Names & synonyms
SCHEMBL1519951WOUNNAGARGKXAB-JOCHJYFZSA-N(2S)-1-(4-Chlorophenyl)-4-(4-(isoquinolin-6-yl)-1H-pyrazol-1-yl)butan-2-amine
Database identifiers
- PubChem CID
- 57950595
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 454
Related reactions
1 records
Compound notes
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