Basic information
- CAS
201545-01-9- Standard SMILES
COc1ccc(C2=NN(C(C)=O)C(c3ccccc3)C2)cc1- InChIKey
NJNSUAFGXKWRID-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Overview
1-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- 1-[5-(4-Methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
- IUPAC
- 1-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
Names & synonyms
201545-01-91-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanoneCHEMBL12109201H-Pyrazole, 1-acetyl-4,5-dihydro-3-(4-methoxyphenyl)-5-phenyl-1-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone1-[3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one1-(3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanoneCBMicro_001492MLS0012123071-acetyl-3-(4-methoxyphenyl)-5-phenyl-2-pyrazolineDTXSID80387063CHEBI:107180
Show more names
HMS2846D06SMSF00107731-[3-(4-Methoxy-phenyl)-5-phenyl-4,5-dihydro-pyrazol-1-yl]-ethanoneBDBM50323069EBC-73035STK120022AKOS000638577AKOS016302949
Database identifiers
- CAS
201545-01-9- PubChem CID
- 2879720
- DTXSID
DTXSID80387063- ChEMBL
CHEMBL1210920- ChEBI
CHEBI:107180
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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