Q7SD83NF8N
Basic information
- CAS
767608-11-7- Standard SMILES
Cc1c(/C=C/CN2CCN(c3cccc(Cl)c3)CC2)cnn1-c1ncccn1- InChIKey
JOKNCGRDYUIPJC-HWKANZROSA-N- Molecular formula
- C21H23ClN6
- Average molar mass
- 394.9 g/mol
- Monoisotopic mass
- 394.1672725
Names & identifiers
- Preferred name
- Q7SD83NF8N
- IUPAC
- 2-[4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrimidine
Names & synonyms
Q7SD83NF8NDZ-3358 free baseUNII-Q7SD83NF8N767608-11-72-(4-((1E)-3-(4-(3-Chlorophenyl)-1-piperazinyl)-1-propen-1-yl)-5-methyl-1H-pyrazol-1-yl)pyrimidinePyrimidine, 2-(4-((1E)-3-(4-(3-chlorophenyl)-1-piperazinyl)-1-propen-1-yl)-5-methyl-1H-pyrazol-1-yl)-Pyrimidine, 2-(4-((1E)-3-(4-(3-chlorophenyl)-1-piperazinyl)-1-propenyl)-5-methyl-1H-pyrazol-1-yl)-CHEMBL1195398
Database identifiers
- CAS
767608-11-7- PubChem CID
- 9802803
- ChEMBL
CHEMBL1195398- UNII
- Q7SD83NF8N
- Nikkaji
- J1.213.533E、J1.329.942K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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