Basic information
- CAS
318248-46-3- Standard SMILES
COc1ccc(COCc2c(-c3ccccc3)nn(C)c2Cl)cc1- InChIKey
KADQRHUBMYOGRF-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O2
- Average molar mass
- 342.8 g/mol
Names & identifiers
- Preferred name
- 5-chloro-4-{[(4-methoxybenzyl)oxy]methyl}-1-methyl-3-phenyl-1H-pyrazole
- IUPAC
- 5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-1-methyl-3-phenylpyrazole
- English name
- 4-([(5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methoxy]methyl)phenyl methyl ether
- Molecular formula
- C19H19ClN2O2
- Molecular weight
- 342.82
Names & synonyms
318248-46-35-chloro-4-{[(4-methoxybenzyl)oxy]methyl}-1-methyl-3-phenyl-1H-pyrazole5-chloro-4-[(4-methoxyphenyl)methoxymethyl]-1-methyl-3-phenylpyrazole5-chloro-4-{[(4-methoxyphenyl)methoxy]methyl}-1-methyl-3-phenyl-1H-pyrazoleAKOS0050900664K-577S5-CHLORO-4-([(4-METHOXYBENZYL)OXY]METHYL)-1-METHYL-3-PHENYL-1H-PYRAZOLE1H-Pyrazole, 5-chloro-4-[[(4-methoxyphenyl)methoxy]methyl]-1-methyl-3-phenyl-4-([(5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methoxy]methyl)phenyl methyl ether
Database identifiers
- CAS
318248-46-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 483.9 · 483.9±45.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 0.06 · 0.06±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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