Basic information
- CAS
178927-85-0- Standard SMILES
Cc1c(/C=C/CN2CCN(c3cccc(Cl)c3)CC2)cnn1-c1ncccn1.Cl- InChIKey
FDDKBIMQTFVKFO-WGCWOXMQSA-N- Molecular formula
- C21H24Cl2N6
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 430.1439502
Overview
structure in first source
Names & identifiers
- Preferred name
- DZ-3358
- IUPAC
- 2-[4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrimidine;hydrochloride
Names & synonyms
W7FT4CA2HKDZ3358DZ-3358178927-85-0RefChem:920768DZ 3358UNII-W7FT4CA2HK1-(3-Chlorophenyl)-4-(3-(5-methyl-1-(2-pyrimidinyl)pyrazol-4-yl)-1(E)-propenyl)piperazine hydrochloride2-(4-((1E)-3-(4-(3-Chlorophenyl)piperazin-1-yl)prop-1-en-1-yl)-5-methyl-1H-pyrazol-1-yl)pyrimidine hydrochloridePyrimidine, 2-(4-((1E)-3-(4-(3-chlorophenyl)-1-piperazinyl)-1-propenyl)-5-methyl-1H-pyrazol-1-yl)-, monohydrochloridePyrimidine, 2-(4-(3-(4-(3-chlorophenyl)-1-piperazinyl)-1-propenyl)-5-methyl-1H-pyrazol-1-yl)-, monohydrochloride, (E)-CHEMBL554449
Show more names
SCHEMBL6961330SCHEMBL30418006FDDKBIMQTFVKFO-WGCWOXMQSA-N1-[5-Methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-[4-(3-chlorophenyl)-1-piperazinyl]-1-trans-propene hydrochloride2-[4-[(E)-3-[4-(3-Chlorophenyl)piperazin-1-yl]prop-1-enyl]-5-methylpyrazol-1-yl]pyrimidine;hydrochloride
Database identifiers
- CAS
178927-85-0- PubChem CID
Properties
Computed structural properties
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 503
Related reactions
1 records
Compound notes
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