3,5-Bis(3-chlorophenyl)-1-methyl-4-propoxy-1H-pyrazole
Basic information
- CAS
60627-71-6- Standard SMILES
CCCOc1c(-c2cccc(Cl)c2)nn(C)c1-c1cccc(Cl)c1- InChIKey
YIVNZJKVAJZDDX-UHFFFAOYSA-N- Molecular formula
- C19H18Cl2N2O
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 360.0796186
Names & identifiers
- Preferred name
- 3,5-Bis(3-chlorophenyl)-1-methyl-4-propoxy-1H-pyrazole
- IUPAC
- 3,5-bis(3-chlorophenyl)-1-methyl-4-propoxypyrazole
Names & synonyms
60627-71-63,5-Bis(3-chlorophenyl)-1-methyl-4-propoxy-1H-pyrazoleDTXSID10821804
Database identifiers
- CAS
60627-71-6- PubChem CID
- 71400533
- DTXSID
DTXSID10821804
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
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Compound notes
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