Basic information
- CAS
40115-65-9- Standard SMILES
O=C1NN=C(c2ccccc2)C1Cc1ccccc1- InChIKey
ZNERTAAPKLLEBE-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 4-Benzyl-3-phenyl-5-pyrazolone
- IUPAC
- 4-benzyl-3-phenyl-1,4-dihydropyrazol-5-one
Names & synonyms
40115-65-94-Benzyl-3-phenyl-5-pyrazoloneMLS0027041974-Benzyl-3-phenyl-1H-pyrazol-5(4H)-one4-benzyl-5-phenyl-2,4-dihydro-3h-pyrazol-3-oneNSC1099094-benzyl-5-phenyl-2,4-dihydropyrazol-3-oneCHEMBL2131561DTXSID80296560NSC-109909SMR001570903DS-014887
Show more names
3H-Pyrazol-3-one,4-dihydro-5-phenyl-4-(phenylmethyl)-
Database identifiers
- CAS
40115-65-9- PubChem CID
- 269254
- DTXSID
DTXSID80296560- ChEMBL
CHEMBL2131561
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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