4-((2,3-Dimethylphenyl)azo)-alpha,5-diphenyl-3-methyl-1H-pyrazole-1-ethanol
Basic information
- CAS
30823-88-2- Standard SMILES
Cc1cccc(N=Nc2c(C)nn(CC(O)c3ccccc3)c2-c2ccccc2)c1C- InChIKey
GVZFDGASAPZAEY-UHFFFAOYSA-N- Molecular formula
- C26H26N4O
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.21066147
Names & identifiers
- Preferred name
- 4-((2,3-Dimethylphenyl)azo)-alpha,5-diphenyl-3-methyl-1H-pyrazole-1-ethanol
- IUPAC
- 2-[4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-5-phenylpyrazol-1-yl]-1-phenylethanol
Names & synonyms
BRN 40262714-((2,3-Dimethylphenyl)azo)-alpha,5-diphenyl-3-methyl-1H-pyrazole-1-ethanol1H-Pyrazole-1-ethanol, 4-((2,3-dimethylphenyl)azo)-alpha,5-diphenyl-3-methyl-30823-88-25-25-18-00147 (Beilstein Handbook Reference)
Database identifiers
- CAS
30823-88-2- PubChem CID
- 207803
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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