Basic information
- CAS
218287-72-0- Standard SMILES
COc1cc(C(=O)n2ncc(C(C)=O)c2C)cc(OC)c1OC- InChIKey
SXAOFLOUBVJRGK-UHFFFAOYSA-N- Molecular formula
- C16H18N2O5
- Average molar mass
- 318.32 g/mol
- Monoisotopic mass
- 318.12157168
Names & identifiers
- Preferred name
- 1-[5-Methyl-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazol-4-yl]ethanone
- IUPAC
- 1-[5-methyl-1-(3,4,5-trimethoxybenzoyl)pyrazol-4-yl]ethanone
Names & synonyms
NSC326652DTXSID3011711481-[5-Methyl-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazol-4-yl]ethanoneCCG-51992NSC-326652218287-72-0SR-01000641252-11-[5-Methyl-1-(3,4,5-trimethoxybenzoyl)-1H-pyrazol-4-yl]ethan-1-one
Database identifiers
- CAS
218287-72-0- PubChem CID
- 331815
- DTXSID
DTXSID301171148
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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