Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
Basic information
- CAS
108132-57-6- Standard SMILES
COc1cc(C(=O)n2nc(C)cc2C)cc(OC)c1OC- InChIKey
KUFQYQWVZDXHJN-UHFFFAOYSA-N- Molecular formula
- C15H18N2O4
- Average molar mass
- 290.31 g/mol
- Monoisotopic mass
- 290.12665706
Names & identifiers
- Preferred name
- Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
- IUPAC
- (3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Names & synonyms
Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-108132-57-6BRN 59696843,5-Dimethyl-1-(3,4,5-trimethoxybenzoyl)pyrazoleDTXSID20148418RefChem:376063DTXCID9070909(3,5-dimethyl-1H-pyrazol-1-yl)(3,4,5-trimethoxyphenyl)methanone3,5-DIMETHYL-1-(3,4,5-TRIMETHOXYBENZOYL)-1H-PYRAZOLECBMicro_015933Cambridge id 5257601Oprea1_435505
Show more names
Oprea1_867285MLS000105210F0890-0439CHEMBL1564861SCHEMBL18131009HMS2397L09(3,5-dimethylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanoneAKOS000647371
Database identifiers
- CAS
108132-57-6- PubChem CID
- 737529
- DTXSID
DTXSID20148418- ChEMBL
CHEMBL1564861
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…