ethyl 2-(4-chlorophenyl)-3-oxo-1H-pyrazole-5-carboxylate
Basic information
- CAS
64919-93-3- Standard SMILES
CCOC(=O)c1cc(=O)n(-c2ccc(Cl)cc2)[nH]1- InChIKey
HYLGCHRRRWVFBP-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O3
- Average molar mass
- 266.68 g/mol
- Monoisotopic mass
- 266.0458199
Names & identifiers
- Preferred name
- ethyl 2-(4-chlorophenyl)-3-oxo-1H-pyrazole-5-carboxylate
- IUPAC
- ethyl 2-(4-chlorophenyl)-3-oxo-1H-pyrazole-5-carboxylate
Names & synonyms
64919-93-31H-Pyrazole-3-carboxylic acid, 1-(4-chlorophenyl)-5-hydroxy-, ethyl esterSCHEMBL537642SCHEMBL11426196ethyl 2-(4-chlorophenyl)-3-oxo-1H-pyrazole-5-carboxylateDTXSID201185617F641677Ethyl 1-(4-chlorophenyl)-5-hydroxy-1H-pyrazole-3-carboxylateethyl 1-(4-chlorophenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
Database identifiers
- CAS
64919-93-3- PubChem CID
- 2392317
- DTXSID
DTXSID201185617
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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