Basic information
- CAS
87885-62-9- Standard SMILES
CC1=NN(C(=O)c2ccccc2)C(C)(O)C1(C)C- InChIKey
WHTDOWIWFZLPEJ-UHFFFAOYSA-N- Molecular formula
- C14H18N2O2
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.13682782
Names & identifiers
- Preferred name
- ST073565
- IUPAC
- (5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanone
Names & synonyms
87885-62-9ST073565DTXSID20389687RefChem:381437DTXCID90340548(5-hydroxy-3,4,4,5-tetramethylpyrazol-1-yl)-phenylmethanoneCBMicro_0003551-benzoyl-3,4,4,5-tetramethyl-4,5-dihydro-1H-pyrazol-5-olHMS1691H02SMSF0006801AKOS000608317AKOS024284203
Show more names
CB01545BIM-0000489.P0015-hydroxy-3,4,4,5-tetramethyl(2-pyrazolinyl) phenyl ketone(5-Hydroxy-3,4,4,5-tetramethyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
Database identifiers
- CAS
87885-62-9- PubChem CID
- 3136589
- DTXSID
DTXSID20389687- Nikkaji
- J329.266E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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