Acetic acid, [3-[2-(3,4-diphenyl-1H-pyrazol-1-yl)ethyl]phenoxy]-
Basic information
- CAS
131362-18-0- Standard SMILES
O=C(O)COc1cccc(CCn2cc(-c3ccccc3)c(-c3ccccc3)n2)c1- InChIKey
BTFRTIRRPBIYAG-UHFFFAOYSA-N- Molecular formula
- C25H22N2O3
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.16304257
Names & identifiers
- Preferred name
- Acetic acid, [3-[2-(3,4-diphenyl-1H-pyrazol-1-yl)ethyl]phenoxy]-
- IUPAC
- 2-[3-[2-(3,4-diphenylpyrazol-1-yl)ethyl]phenoxy]acetic acid
Names & synonyms
131362-18-02-(3-(2-(3,4-Diphenyl-1H-pyrazol-1-yl)ethyl)phenoxy)acetic acidAcetic acid, [3-[2-(3,4-diphenyl-1H-pyrazol-1-yl)ethyl]phenoxy]-CHEMBL117498SCHEMBL9842862DTXSID70433987{3-[2-(3,4-Diphenyl-1H-pyrazol-1-yl)ethyl]phenoxy}acetic acid
Database identifiers
- CAS
131362-18-0- PubChem CID
- 10000925
- DTXSID
DTXSID70433987- ChEMBL
CHEMBL117498- Nikkaji
- J513.436F
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 530
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Compound notes
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