Basic information
- Standard SMILES
Cc1c(Cl)cccc1N1CCN(C/C=C/c2cnn(-c3ncccn3)c2C)CC1.Cl- InChIKey
DUKDTUQDFIBTQZ-CVDVRWGVSA-N- Molecular formula
- C22H26Cl2N6
- Average molar mass
- 445.4 g/mol
Names & identifiers
- Preferred name
- 1-[5-Methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-[4-(3-chloro-2-methylphenyl)-1-piperazinyl]-1-trans-propene hydrochloride
- IUPAC
- 2-[4-[(E)-3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrimidine;hydrochloride
Names & synonyms
SCHEMBL6960660DUKDTUQDFIBTQZ-CVDVRWGVSA-N1-[5-Methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-[4-(3-chloro-2-methylphenyl)-1-piperazinyl]-1-trans-propene hydrochloride
Database identifiers
- PubChem CID
- 22097288
Properties
Computed structural properties
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 531
Related reactions
1 records
Compound notes
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