Basic information
- CAS
26502-58-9- Standard SMILES
CCOC(=O)c1nn(-c2ccc(OCC)cc2)cc1O- InChIKey
LTNGQELIESBHOI-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- Ethyl 1-(4-ethoxyphenyl)-4-hydroxy-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 1-(4-ethoxyphenyl)-4-hydroxypyrazole-3-carboxylate
- English name
- Ethyl 1-(4-ethoxyphenyl)-4-hydroxy-1H-pyrazole-3-carboxylate
- Molecular formula
- C14H16N2O4
- Molecular weight
- 276.29
Names & synonyms
26502-58-9ETHYL 1-(4-ETHOXYPHENYL)-4-HYDROXY-1H-PYRAZOLE-3-CARBOXYLATEDTXSID30352620RefChem:341980DTXCID603036851-(4-Ethoxy-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl esterethyl 1-(4-ethoxyphenyl)-4-hydroxypyrazole-3-carboxylateCHEMBL4750938Oprea1_525142F1174-1795IFLab1_005249SCHEMBL12164813
Show more names
IFLAB-BB F1174-1795ethyl 1-(4-ethoxyphenyl)-4-hydroxy-pyrazole-3-carboxylate1H-Pyrazole-3-carboxylic acid, 1-(4-ethoxyphenyl)-4-hydroxy-, ethyl ester
HMS1426O13BDBM50560147AKOS001052585EBC-611681EN300-236214AF-399/15392071F511668SR-01000477037
Database identifiers
- CAS
26502-58-9- PubChem CID
- 730289
- DTXSID
DTXSID30352620- ChEMBL
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Boiling point
- 403 · 403.0±35.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 8.9 · 8.90±0.19(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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