Basic information
- Standard SMILES
Cc1c(/C=C/CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cnn1-c1ncccn1.Cl- InChIKey
KEUJEDHPMKUAHW-WGCWOXMQSA-N- Molecular formula
- C22H24ClF3N6
- Average molar mass
- 464.9 g/mol
Names & identifiers
- Preferred name
- 1-[5-Methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-[4-(3-trifluoromethylphenyl)-1-piperazinyl]-1-trans-propene hydrochloride
- IUPAC
- 2-[5-methyl-4-[(E)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-enyl]pyrazol-1-yl]pyrimidine;hydrochloride
Names & synonyms
1-[5-Methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-[4-(3-trifluoromethylphenyl)-1-piperazinyl]-1-trans-propene hydrochlorideSCHEMBL6973888
Database identifiers
- PubChem CID
- 22097282
Properties
Computed structural properties
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 586
Related reactions
1 records
Compound notes
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