Basic information
- CAS
38858-98-9- Standard SMILES
CC(=O)n1ccc(-c2ccccc2)n1- InChIKey
ZZEDMOLFOCWOCK-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931295
Names & identifiers
- Preferred name
- 1-Acetyl-3-phenyl-1H-pyrazole
- IUPAC
- 1-(3-phenylpyrazol-1-yl)ethanone
Names & synonyms
38858-98-91-Acetyl-3-phenyl-1H-pyrazoleDTXSID705781451-(3-PHENYLPYRAZOL-1-YL)ETHANONE1-(3-Phenyl-1H-pyrazol-1-yl)ethan-1-one
Database identifiers
- CAS
38858-98-9- PubChem CID
- 15768370
- DTXSID
DTXSID70578145
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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