Basic information
- CAS
39683-26-6- Standard SMILES
CCOC(=O)c1nn(-c2ccc(OC)cc2)cc1O- InChIKey
DEAWYDZTIUXURF-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Names & identifiers
- Preferred name
- Ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate
- IUPAC
- ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylate
- English name
- Ethyl 4-hydroxy-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate
- Molecular formula
- C13H14N2O4
- Molecular weight
- 262.26
Names & synonyms
39683-26-6ethyl 4-hydroxy-1-(4-methoxyphenyl)pyrazole-3-carboxylateDTXSID20352619RefChem:343981DTXCID00303684ethyl 4-hydroxy-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxylate4-Hydroxy-1-(4-methoxy-phenyl)-1H-pyrazole-3-carboxylic acid ethyl esterOprea1_682359F1174-1794SCHEMBL20022408PBA68326AKOS002349123
Show more names
IFLAB-BB F1174-17941H-Pyrazole-3-carboxylic acid, 4-hydroxy-1-(4-methoxyphenyl)-, ethyl ester
AT11587DB-187424CS-0452068EU-0043044EN300-236213AF-399/15392070F494603SR-01000477036
Database identifiers
- CAS
39683-26-6- PubChem CID
- 730287
- DTXSID
DTXSID20352619
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 117 °C · 117 °C(Solv: ethanol (64-17-5))
- Boiling point
- 390.8 · 390.8±32.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 8.89 · 8.89±0.19(Predicted)
Chemistry & industry
Suppliers10 total
宁波振岳医药科技有限公司19817745290 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通鑫奇胜生物科技有限公司13635551869 13690496888 · [email protected]
上海兰科化学有限公司021-61916491 15921747686 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
成都睿和德医药科技有限公司17381862311 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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