Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate
Basic information
- CAS
5217-48-1- Standard SMILES
Cc1nn(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1C(=O)Oc1ccccc1- InChIKey
WTBMVLGONJZOSK-UHFFFAOYSA-N- Molecular formula
- C29H22N2O2
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.16812795
Names & identifiers
- Preferred name
- Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate
- IUPAC
- phenyl 2-(3-methyl-1,5-diphenylpyrazol-4-yl)benzoate
Names & synonyms
Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate5217-48-1phenyl 2-(3-methyl-1,5-diphenylpyrazol-4-yl)benzoateOprea1_510400DTXSID20367581
Database identifiers
- CAS
5217-48-1- PubChem CID
- 2276320
- DTXSID
DTXSID20367581
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 621
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Compound notes
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