1H-Pyrazole-3-carboxylic acid, 4-hydroxy-1-phenyl-5-(phenylazo)-, ethyl ester
Basic information
- CAS
15096-02-3- Standard SMILES
CCOC(=O)c1nn(-c2ccccc2)c(N=Nc2ccccc2)c1O- InChIKey
OWYTYDUDULWGQR-UHFFFAOYSA-N- Molecular formula
- C18H16N4O3
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.12224039
Names & identifiers
- Preferred name
- 1H-Pyrazole-3-carboxylic acid, 4-hydroxy-1-phenyl-5-(phenylazo)-, ethyl ester
- IUPAC
- ethyl 4-hydroxy-1-phenyl-5-phenyldiazenylpyrazole-3-carboxylate
- English name
- ethyl 4-hydroxy-1-phenyl-5-(phenylazo)-1H-pyrazole-3-carboxylate
- Molecular formula
- C18H16N4O3
- Molecular weight
- 336.34464
Names & synonyms
15096-02-31H-Pyrazole-3-carboxylic acid, 4-hydroxy-1-phenyl-5-(phenylazo)-, ethyl esterEINECS 239-146-71H-Pyrazole-3-carboxylic acid, 4-hydroxy-1-phenyl-5-(phenylazo), ethyl esterDTXSID0065856OWYTYDUDULWGQR-UHFFFAOYSA-Nethyl 4-hydroxy-1-phenyl-5-phenyldiazenylpyrazole-3-carboxylateEthyl 4-hydroxy-1-phenyl-5-(phenylazo)-1H-pyrazole-3-carboxylate1H-Pyrazole-3-carboxylic acid, 4-hydroxy-1-phenyl-5-(2-phenyldiazenyl)-, ethyl esterNS00051378Ethyl 4-hydroxy-1-phenyl-5-(phenyldiazenyl)-1H-pyrazole-3-carboxylate4-Hydroxy-1-phenyl-5-(phenylazo)-1H-pyrazole-3-carboxylic acid ethyl ester
Database identifiers
- CAS
15096-02-3- PubChem CID
- 84790
- DTXSID
DTXSID0065856- EC Number
- 239-146-7
- Nikkaji
- J241.391D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Boiling point
- 507.5 · 507.5±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 8.14 · 8.14±0.24(Predicted)
- EPA Substance Registry System
- 1 H-Pyrazole-3-carboxylic · 1H-Pyrazole-3-carboxylic acid, 4-hydroxy-1-phenyl-5-(phenylazo)-, ethyl ester (15096-02-3)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Pyrazole-3-carboxylic acid, 4-hydroxy-1-phenyl-5-(2-phenyldiazenyl)-, ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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