3-(2-Chlorophenyl)-1-methyl-5-phenyl-4-propoxy-1H-pyrazole
Basic information
- CAS
60627-69-2- Standard SMILES
CCCOc1c(-c2ccccc2Cl)nn(C)c1-c1ccccc1- InChIKey
HBWFTSIUGBJCFF-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O
- Average molar mass
- 326.8 g/mol
- Monoisotopic mass
- 326.1185909
Names & identifiers
- Preferred name
- 3-(2-Chlorophenyl)-1-methyl-5-phenyl-4-propoxy-1H-pyrazole
- IUPAC
- 3-(2-chlorophenyl)-1-methyl-5-phenyl-4-propoxypyrazole
Names & synonyms
60627-69-23-(2-Chlorophenyl)-1-methyl-5-phenyl-4-propoxy-1H-pyrazoleDTXSID30821806
Database identifiers
- CAS
60627-69-2- PubChem CID
- 71400535
- DTXSID
DTXSID30821806
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
- 361
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Compound notes
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