Basic information
- CAS
4487-30-3- Standard SMILES
COc1ccc(C2C=NNC2C(=O)c2c(OC)ccc3ccccc23)cc1- InChIKey
IBXNPYQHXAZLFV-UHFFFAOYSA-N- Molecular formula
- C22H20N2O3
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.1473925
Names & identifiers
- Preferred name
- (2-Methoxy-1-naphthyl) (4-(p-methoxyphenyl)-2-pyrazolin-5-yl) ketone
- IUPAC
- (2-methoxynaphthalen-1-yl)-[4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]methanone
- English name
- (2-methoxy-1-naphthyl) [4-(p-methoxyphenyl)-2-pyrazolin-5-yl] ketone
- Molecular formula
- C22H20N2O3
- Molecular weight
- 360.41
Names & synonyms
4487-30-3EINECS 224-776-7Ketone, 2-methoxy-1-naphthyl 4-(p-methoxyphenyl)-2-pyrazolin-5-yl(2-Methoxy-1-naphthyl) (4-(p-methoxyphenyl)-2-pyrazolin-5-yl) ketone(2-methoxy-1-naphthyl) [4-(p-methoxyphenyl)-2-pyrazolin-5-yl] ketoneMethanone, (4,5-dihydro-4-(4-methoxyphenyl)-1H-pyrazol-5-yl)(2-methoxy-1-naphthalenyl)-RefChem:395959224-776-7IBXNPYQHXAZLFV-UHFFFAOYSA-NNS000470462-Methoxy-1-naphtyl[4-(p-methoxyphenyl)-2-pyrazolin-5-yl] ketone
Database identifiers
- CAS
4487-30-3- PubChem CID
- 78239
- EC Number
- 224-776-7
- Nikkaji
- J205.865K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 544
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Ketone, 2-methoxy-1-naphthyl 4-(p-methoxyphenyl)-2-pyrazolin-5-yl
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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