3H-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-
Basic information
- CAS
1461-17-2- Standard SMILES
CCCC(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
HDWBDLKIQZBFBD-UHFFFAOYSA-N- Molecular formula
- C26H30N4O2
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.23687621
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-
- IUPAC
- 4-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butyl]-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- 4,4'-Butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one]
- Molecular formula
- C26H30N4O2
- Molecular weight
- 430.54
Names & synonyms
3h-pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-DTXSID90617083H-Pyrazol-3-one, 4,4'-butylidenebis(1,2-dihydro-1,5-dimethyl-2-phenyl-RefChem:505797DTXCID20347561461-17-2Diantipyrylpropylmethane4,4'-(Butane-1,1-diyl)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)HDWBDLKIQZBFBD-UHFFFAOYSA-N4-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butyl]-1,5-dimethyl-2-phenylpyrazol-3-oneSMR000054964Oprea1_051549
Show more names
Oprea1_546761MLS000105035CHEMBL1504795SCHEMBL11301428HMS2347D13STL4466814,4'-Butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one]4,4/'-Butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one]
Database identifiers
- CAS
1461-17-2- PubChem CID
- 73829
- DTXSID
DTXSID9061708- ChEMBL
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 741
Physicochemical properties
- Boiling point
- 543.38 °C · 543.38°C (rough estimate)
- Density
- 1.1693 · 1.1693 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- Water Solubility
- 60 mg/L · 60mg/L(20 ºC)
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl- (1461-17-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Pyrazol-3-one, 4,4'-butylidenebis[1,2-dihydro-1,5-dimethyl-2-phenyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
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Compound notes
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