5-[4-(benzyloxy)phenyl]-3-chloro-1-(4-methoxyphenyl)-1H-pyrazole
Basic information
- Standard SMILES
COc1ccc(-n2nc(Cl)cc2-c2ccc(OCc3ccccc3)cc2)cc1- InChIKey
RFQVBOAASQNQSQ-UHFFFAOYSA-N- Molecular formula
- C23H19ClN2O2
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.1135055
Names & identifiers
- Preferred name
- 5-[4-(benzyloxy)phenyl]-3-chloro-1-(4-methoxyphenyl)-1H-pyrazole
- IUPAC
- 3-chloro-1-(4-methoxyphenyl)-5-(4-phenylmethoxyphenyl)pyrazole
Names & synonyms
SCHEMBL5147862RFQVBOAASQNQSQ-UHFFFAOYSA-N5-[4-(benzyloxy)phenyl]-3-chloro-1-(4-methoxyphenyl)-1-H-pyrazole5-[4-(benzyloxy)phenyl]-3-chloro-1-(4-methoxyphenyl)-1H-pyrazole4-[3-chloro-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenyl benzyl ether
Database identifiers
- PubChem CID
- 21090901
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 458
Related reactions
3 records
Compound notes
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