Basic information
- CAS
82366-28-7- Standard SMILES
COc1ccc(C2(O)CC(C)=NN2C(=O)c2ccccc2)cc1- InChIKey
FSTGCQCLBJRZKR-UHFFFAOYSA-N- Molecular formula
- C18H18N2O3
- Average molar mass
- 310.3 g/mol
Names & identifiers
- Preferred name
- 1-benzoyl-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
- IUPAC
- [5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
- English name
- 1-benzoyl-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
- Molecular formula
- C18H18N2O3
- Molecular weight
- 310.34712
Names & synonyms
1-benzoyl-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-olOprea1_773661AG-670/34263040[5-hydroxy-5-(4-methoxyphenyl)-3-methyl-4H-pyrazol-1-yl]-phenylmethanone
Database identifiers
- CAS
82366-28-7
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 465
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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