2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-methylphenol
Basic information
- CAS
65840-98-4- Standard SMILES
COc1ccc(-c2cc(-c3cc(C)ccc3O)[nH]n2)cc1- InChIKey
FAXASVFSGHQOHP-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.12117776
Names & identifiers
- Preferred name
- 2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-methylphenol
- IUPAC
- 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-methylphenol
Names & synonyms
65840-98-4MLS0007136142-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-methylphenolSMR000273095AC1O9Y4L2-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)-4-methylphenol3-(2-hydroxy-5-methylphenyl)-5-(4-methoxyphenyl)pyrazoleCambridge id 5478153Oprea1_169574Oprea1_771137CHEMBL1424355SCHEMBL10357521
Show more names
SCHEMBL10358277BDBM47436cid_5397853DTXSID70425206HMS2637L13HMS3365I01HMS3429N04AKOS000603339
Database identifiers
- CAS
65840-98-4- PubChem CID
- 725367
- DTXSID
DTXSID70425206- ChEMBL
CHEMBL1424355
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
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Compound notes
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