5-Methyl-1-phenyl-4-[(e)-phenyldiazenyl]-1,2-dihydro-3h-pyrazol-3-one
Basic information
- CAS
15095-26-8- Standard SMILES
Cc1c(N=Nc2ccccc2)c(=O)[nH]n1-c1ccccc1- InChIKey
JTQLRUKDOAKGDM-UHFFFAOYSA-N- Molecular formula
- C16H14N4O
- Average molar mass
- 278.31 g/mol
- Monoisotopic mass
- 278.11676108
Overview
See also: 3-Methyl-2-phenyl-4-phenylazo-3-pyrazolin-5-one (annotation moved to).
Names & identifiers
- Preferred name
- 5-Methyl-1-phenyl-4-[(e)-phenyldiazenyl]-1,2-dihydro-3h-pyrazol-3-one
- IUPAC
- 3-methyl-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-one
- English name
- 3-Methyl-2-phenyl-4-phenylazo-3-pyrazolin-5-one
- Molecular formula
- C16H14N4O
- Molecular weight
- 278.31
Names & synonyms
15095-26-83-methyl-2-phenyl-4-phenyldiazenyl-1H-pyrazol-5-one5-methyl-1-phenyl-4-[(e)-phenyldiazenyl]-1,2-dihydro-3h-pyrazol-3-oneNSC157682DTXSID10303276AKOS024333397NSC-1576825-methyl-1-phenyl-4-(phenyldiazenyl)-1,2-dihydro-3H-pyrazol-3-one3-Methyl-2-phenyl-4-phenylazo-3-pyrazolin-5-one3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-1-phenyl-4-(2-phenyldiazenyl)-
Database identifiers
- CAS
15095-26-8- PubChem CID
- 292071
- DTXSID
DTXSID10303276
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 6.96 · 6.96±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H335-H315-H301
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H319-H335-H315-H301
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…