1H-Pyrazole, 4-chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
Basic information
- CAS
108132-60-1- Standard SMILES
COc1cc(C(=O)n2nc(C)c(Cl)c2C)cc(OC)c1OC- InChIKey
DESMUKMRRZCSDV-UHFFFAOYSA-N- Molecular formula
- C15H17ClN2O4
- Average molar mass
- 324.76 g/mol
- Monoisotopic mass
- 324.0876847
Names & identifiers
- Preferred name
- 1H-Pyrazole, 4-chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
- IUPAC
- (4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Names & synonyms
BRN 59823801H-Pyrazole, 4-chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-108132-60-14-Chloro-3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazoleDTXSID50148421RefChem:239825DTXCID8070912(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
Database identifiers
- CAS
108132-60-1- PubChem CID
- 3065474
- DTXSID
DTXSID50148421
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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