Basic information
- CAS
324067-76-7- Standard SMILES
CCc1ccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1- InChIKey
GOOVMNQOXRWFES-UHFFFAOYSA-N- Molecular formula
- C20H21N3O
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.1684623
Names & identifiers
- Preferred name
- (E)-4-((4-ethylbenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
- IUPAC
- 4-[(4-ethylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- (E)-4-((4-ethylbenzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- Molecular formula
- C20H21N3O
- Molecular weight
- 319.4
Names & synonyms
324067-76-7(E)-4-((4-ethylbenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one4-[(E)-[(4-ethylphenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-oneOprea1_765455CHEMBL2376174-[(4-ethylphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-oneAKOS001268445AKOS030644996ST010297F0777-1079Z1994672024-[(1E)-2-(4-ethylphenyl)-1-azavinyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
Show more names
4-((4-ETHYL-BENZYLIDENE)-AMINO)-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE(E)-4-((4-ethylbenzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one3H-Pyrazol-3-one, 4-[[(4-ethylphenyl)methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-
4-{[(E)-(4-ethylphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Boiling point
- 443.295 · 443.295±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.102 · 1.102±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.706 · 8.706±0.20(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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