Basic information
- CAS
329934-36-3- Standard SMILES
Cc1c(N=Cc2ccc(F)cc2)c(=O)n(C)n1C- InChIKey
BMLCBINFBHHCDY-UHFFFAOYSA-N- Molecular formula
- C13H14FN3O
- Average molar mass
- 247.27 g/mol
- Monoisotopic mass
- 247.11209024
Names & identifiers
- Preferred name
- 4-((4-Fluoro-benzylidene)-amino)-1,2,5-trimethyl-1,2-dihydro-pyrazol-3-one
- IUPAC
- 4-[(4-fluorophenyl)methylideneamino]-1,2,5-trimethylpyrazol-3-one
- English name
- 4-((4-Fluoro-benzylidene)-amino)-1,2,5-trimethyl-1,2-dihydro-pyrazol-3-one
- Molecular weight
- 0
Names & synonyms
Oprea1_282846AKOS024275003ST0096254-((4-FLUORO-BENZYLIDENE)-AMINO)-1,2,5-TRIMETHYL-1,2-DIHYDRO-PYRAZOL-3-ONE4-[(1E)-2-(4-fluorophenyl)-1-azavinyl]-1,2,3-trimethyl-3-pyrazolin-5-one
Database identifiers
- CAS
329934-36-3- PubChem CID
- 690799
- EC Number
- 141-545-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 397
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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