(4-Bromo-3,5-dimethylpyrazol-1-yl)-[4-[(4-propylphenoxy)methyl]phenyl]methanone
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Basic information
- CAS
514800-67-0- Standard SMILES
CCCc1ccc(OCc2ccc(C(=O)n3nc(C)c(Br)c3C)cc2)cc1- InChIKey
JPEGVYSIFUPPNU-UHFFFAOYSA-N- Molecular formula
- C22H23BrN2O2
- Average molar mass
- 427.3 g/mol
- Monoisotopic mass
- 426.09429
Names & identifiers
- Preferred name
- (4-Bromo-3,5-dimethylpyrazol-1-yl)-[4-[(4-propylphenoxy)methyl]phenyl]methanone
- IUPAC
- (4-bromo-3,5-dimethylpyrazol-1-yl)-[4-[(4-propylphenoxy)methyl]phenyl]methanone
- English name
- 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]benzyl 4-propylphenyl ether
- Molecular formula
- C22H23BrN2O2
- Molecular weight
- 427.33422
Names & synonyms
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl){4-[(4-propylphenoxy)methyl]phenyl}methanoneOprea1_392350AK-968/15363512STK915051AKOS001490803(4-bromo-3,5-dimethylpyrazol-1-yl)-[4-[(4-propylphenoxy)methyl]phenyl]methanone4-bromo-3,5-dimethyl-1-{4-[(4-propylphenoxy)methyl]benzoyl}-1H-pyrazole4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]benzyl 4-propylphenyl ether
Database identifiers
- CAS
514800-67-0- PubChem CID
- 3645006
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 473
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