3-(4-Chlorophenyl)-1-methyl-5-phenyl-4-propoxy-1H-pyrazole
Basic information
- CAS
60627-70-5- Standard SMILES
CCCOc1c(-c2ccc(Cl)cc2)nn(C)c1-c1ccccc1- InChIKey
SJKUBHMPCBVADC-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O
- Average molar mass
- 326.8 g/mol
- Monoisotopic mass
- 326.1185909
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-1-methyl-5-phenyl-4-propoxy-1H-pyrazole
- IUPAC
- 3-(4-chlorophenyl)-1-methyl-5-phenyl-4-propoxypyrazole
Names & synonyms
60627-70-53-(4-Chlorophenyl)-1-methyl-5-phenyl-4-propoxy-1H-pyrazoleDTXSID70821805
Database identifiers
- CAS
60627-70-5- PubChem CID
- 71400534
- DTXSID
DTXSID70821805
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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