2-Methyl-3-((1-phenyl-1H-pyrazol-4-YL)methoxy)-6-(1'-phenyl-5-(trifluoromethyl)-1H,1'H-4,4'-bipyrazol-3-YL)phenol
Basic information
- CAS
1092982-88-1- Standard SMILES
Cc1c(OCc2cnn(-c3ccccc3)c2)ccc(-c2n[nH]c(C(F)(F)F)c2-c2cnn(-c3ccccc3)c2)c1O- InChIKey
QOHDPNJJGFTYAV-UHFFFAOYSA-N- Molecular formula
- C30H23F3N6O2
- Average molar mass
- 556.5 g/mol
- Monoisotopic mass
- 556.18345848
Names & identifiers
- Preferred name
- 2-Methyl-3-((1-phenyl-1H-pyrazol-4-YL)methoxy)-6-(1'-phenyl-5-(trifluoromethyl)-1H,1'H-4,4'-bipyrazol-3-YL)phenol
- IUPAC
- 2-methyl-3-[(1-phenylpyrazol-4-yl)methoxy]-6-[4-(1-phenylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
Names & synonyms
AKOS0036146592-METHYL-3-((1-PHENYL-1H-PYRAZOL-4-YL)METHOXY)-6-(1'-PHENYL-5-(TRIFLUOROMETHYL)-1H,1'H-4,4'-BIPYRAZOL-3-YL)PHENOL
Database identifiers
- CAS
1092982-88-1- PubChem CID
- 4075282
- EC Number
- 122-252-1
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 842
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