Basic information
- CAS
98475-62-8- Standard SMILES
CCOC(=O)c1cnn(-c2ccccn2)c1C#N- InChIKey
HVBSFBWQHVGWCC-UHFFFAOYSA-N- Molecular formula
- C12H10N4O2
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.08037556
Names & identifiers
- Preferred name
- ethyl 5-cyano-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-cyano-1-pyridin-2-ylpyrazole-4-carboxylate
- English name
- ethyl 5-cyano-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
- Molecular formula
- C12H10N4O2
- Molecular weight
- 242.23
Names & synonyms
ethyl 5-cyano-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate98475-62-8ethyl 5-cyano-1-pyridin-2-ylpyrazole-4-carboxylateDTXSID70545933ethyl5-cyano-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylateHVBSFBWQHVGWCC-UHFFFAOYSA-N5-cyano-1-(2-pyridinyl)-1H-pyrazole-4-carboxylic acid, ethyl esterAKOS015901058DB-0805245cyano-1-(2-pyridinyl)-1H-pyrazole-4-carboxylic acid, ethyl ester98475-62-8, ethyl 5-cyano-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate, 5-CYANO-1-(2-PYRIDINYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, AGN-PC-00NCPU, AKOS015901058, ACN-000121, AK139412, A11272, I14-15685, ethyl5-cyano-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 5-cyano-1-(2-pyridinyl)-, ethyl ester5-Cyano-1-(2-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester
Show more names
1H-Pyrazole-4-carboxylic acid, 5-cyano-1-(2-pyridinyl)-, ethyl ester
Database identifiers
- CAS
98475-62-8- PubChem CID
- 13654086
- DTXSID
DTXSID70545933
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 449.2 · 449.2±35.0 °C(Predicted)
- Density
- 1.28 · 1.28
- storage temp.
- 2 · 2-8°C
- pka
- -0.27 · -0.27±0.19(Predicted)
Chemistry & industry
Suppliers5 total
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
海蔚化学86-21-51086038 · [email protected]
中山市聚科美生物科技有限公司13642727863
重庆卡兰医药有限公司[email protected]
Related reactions
3 records
Compound notes
Loading…