4-[(2-Ethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Basic information
- CAS
329934-34-1- Standard SMILES
CCOc1ccccc1C=Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
CYVGLYCDMQQRQJ-UHFFFAOYSA-N- Molecular formula
- C20H21N3O2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.16337692
Names & identifiers
- Preferred name
- 4-[(2-Ethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
- IUPAC
- 4-[(2-ethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- (E)-4-((2-Ethoxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
- Molecular formula
- C20H21N3O2
- Molecular weight
- 335.4
Names & synonyms
329934-34-14-[(E)-[(2-ethoxyphenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one(E)-4-((2-ethoxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-oneOprea1_4557194-[(2-ethoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-oneAKOS024275002ST009620F0378-00484-[(1E)-2-(2-ethoxyphenyl)-1-azavinyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one4-{[(E)-(2-ethoxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one4-((2-ETHOXY-BENZYLIDENE)-AMINO)-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE3H-Pyrazol-3-one, 4-[[(2-ethoxyphenyl)methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-
Database identifiers
- CAS
329934-34-1- PubChem CID
- 690798
- EC Number
- 141-542-9
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- Boiling point
- 471.7 · 471.7±55.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 8.62 · 8.62±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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 3 (100%)
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Compound notes
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