5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester
Basic information
- CAS
19959-81-0- Standard SMILES
CCOC(=O)c1cc(-c2ccncc2)n[nH]1- InChIKey
DKADLBFTYWLLOD-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- 5-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylate
- English name
- 5-PYRIDIN-4-YL-1(2)H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C11H11N3O2
- Molecular weight
- 217.22
Names & synonyms
19959-81-05-Pyridin-4-yl-1(2)H-pyrazole-3-carboxylic acid ethyl esterDTXSID30341771RefChem:304738DTXCID90292851911461-42-2Ethyl 5-(pyridin-4-yl)-1H-pyrazole-3-carboxylate5-PYRIDIN-4-YL-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTEREthyl 5-(4-Pyridinyl)pyrazole-3-carboxylateethyl 3-pyridin-4-yl-1H-pyrazole-5-carboxylateEthyl 3-(pyridin-4-yl)pyrazole-5-carboxylateMFCD07783845
Show more names
carbonic acid bis(4-acetamidophenyl) esterETHYL 5-PYRIDIN-4-YL-1H-PYRAZOLE-3-CARBOXYLATE1H-PYRAZOLE-3-CARBOXYLICACID, 5-(4-PYRIDINYL)-, ETHYL ESTER
948553-92-2ethyl 3-(pyridin-4-yl)-1H-pyrazole-5-carboxylate3-(4-pyridinyl)-1H-Pyrazole-5-carboxylic acid ethyl esterEthyl 5-[4-pyridyl]pyrazole-3-carboxylateSCHEMBL4712555DKADLBFTYWLLOD-UHFFFAOYSA-NLLB46142AC7218
Database identifiers
- CAS
19959-81-0- PubChem CID
- 575601
- DTXSID
DTXSID30341771
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
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Compound notes
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