(E)-4-((3-chlorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Basic information
- CAS
72425-90-2- Standard SMILES
Cc1c(N=Cc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C- InChIKey
GWHHRRLOMYJVFV-UHFFFAOYSA-N- Molecular formula
- C18H16ClN3O
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0981898
Names & identifiers
- Preferred name
- (E)-4-((3-chlorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
- IUPAC
- 4-[(3-chlorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Names & synonyms
944238-72-6(E)-4-((3-chlorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one4-[(E)-[(3-chlorophenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one4-((3-CHLORO-BENZYLIDENE)-AMINO)-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE4-[(3-chloro-benzylidene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-oneCHEMBL2237957STK8260784-[(3-chlorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-oneAKOS002232388ST010295F1673-63214-[(1E)-2-(3-chlorophenyl)-1-azavinyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
Show more names
4-{[(E)-(3-chlorophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
72425-90-2- PubChem CID
- 710103
- ChEMBL
CHEMBL2237957- EC Number
- 167-578-5
- Nikkaji
- J830.599D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 510
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Compound notes
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