Basic information
- CAS
86691-08-9- Standard SMILES
Oc1ccccc1C1=NN(c2ccccc2)C(c2ccc(Cl)cc2)C1- InChIKey
FWCUYPZPXATWFB-UHFFFAOYSA-N- Molecular formula
- C21H17ClN2O
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.1029409
Names & identifiers
- Preferred name
- 2-[5-(4-Chlorophenyl)-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]phenol
- IUPAC
- 2-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
- English name
- 2-[5-(4-chlorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
- Molecular formula
- C21H17ClN2O
- Molecular weight
- 348.82548
Names & synonyms
86691-08-92-[5-(4-Chlorophenyl)-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]phenol2-(5-(4-Chlorophenyl)-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl)phenolRefChem:252868Phenol, 2-[5-(4-chlorophenyl)-1-phenyl-2-pyrazolin-3-yl]-2-[5-(4-Chlorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenolFWCUYPZPXATWFB-UHFFFAOYSA-NDTXSID601168954AJ-091/148410142-[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol2-[5-(4-Chlorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol #
Database identifiers
- CAS
86691-08-9- PubChem CID
- 563545
- DTXSID
DTXSID601168954
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 469
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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