2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-
Basic information
- CAS
27807-95-0- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1=Nc1ccccc1- InChIKey
UCPXEXHZKICDCS-UHFFFAOYSA-N- Molecular formula
- C16H13N3O
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.10586205
Names & identifiers
- Preferred name
- 2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-
- IUPAC
- 5-methyl-2-phenyl-4-phenyliminopyrazol-3-one
- English name
- 2,4-Dihydro-5-methyl-2-phenyl-4-(phenylimino)-3H-pyrazol-3-one
- Molecular formula
- C16H13N3O
- Molecular weight
- 263.29
Names & synonyms
27807-95-03-Methyl-1-phenyl-4-(phenylimino)-1H-pyrazol-5(4H)-oneST510405262-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(phenylimino)-3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylimino)-SCHEMBL29072506DTXSID00340216UCPXEXHZKICDCS-BMRADRMJSA-N3-methyl-1-phenyl-4-(phenylazamethylene)-1,2-diazolin-5-one(4E)-5-Methyl-2-phenyl-4-(phenylimino)-2,4-dihydro-3H-pyrazol-3-one(4E)-5-Methyl-2-phenyl-4-(phenylimino)-2,4-dihydro-3H-pyrazol-3-one #2,4-Dihydro-5-methyl-2-phenyl-4-(phenylimino)-3H-pyrazol-3-one
Database identifiers
- CAS
27807-95-0- PubChem CID
- 562602
- DTXSID
DTXSID00340216- Nikkaji
- J105.016H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Melting point
- 106 °C · 106 °C(Solv: ethanol (64-17-5))
- Boiling point
- 391.7 · 391.7±25.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- -0.18 · -0.18±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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