[4-(3-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl](phenyl)methanone
Basic information
- CAS
7598-97-2- Standard SMILES
COc1cccc(C2CNN=C2C(=O)c2ccccc2)c1- InChIKey
JYBFJRBANWMGTG-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.12117776
Names & identifiers
- Preferred name
- [4-(3-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl](phenyl)methanone
- IUPAC
- [4-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone
Names & synonyms
7598-97-2[4-(3-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl](phenyl)methanoneNSC405853DTXSID30324140NSC-405853
Database identifiers
- CAS
7598-97-2- PubChem CID
- 347276
- DTXSID
DTXSID30324140
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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