Basic information
- CAS
111929-93-2- Standard SMILES
CC1=NN(c2ccccc2)C(=O)/C1=C(/C)c1ccccc1- InChIKey
BNKYHXKJFYUVQA-LGMDPLHJSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- 5-Methyl-2-phenyl-4-(1-phenyl-ethylidene)-2,4-dihydro-pyrazol-3-one
- IUPAC
- (4Z)-5-methyl-2-phenyl-4-(1-phenylethylidene)pyrazol-3-one
Names & synonyms
AKOS005152561ST505613443-methyl-1-phenyl-4-(phenylethylidene)-1,2-diazolin-5-one5-METHYL-2-PHENYL-4-(1-PHENYL-ETHYLIDENE)-2,4-DIHYDRO-PYRAZOL-3-ONE
Database identifiers
- CAS
111929-93-2- PubChem CID
- 6164331
- EC Number
- 159-149-6
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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