ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(2-phenoxyacetyl)-4H-pyrazole-3-carboxylate
Basic information
- CAS
6073-28-5- Standard SMILES
CCOC(=O)C1=NN(C(=O)COc2ccccc2)C(O)(c2ccc(Cl)cc2)C1- InChIKey
PSZLALONARSCAZ-UHFFFAOYSA-N- Molecular formula
- C20H19ClN2O5
- Average molar mass
- 402.8 g/mol
- Monoisotopic mass
- 402.0982494
Names & identifiers
- Preferred name
- ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(2-phenoxyacetyl)-4H-pyrazole-3-carboxylate
- IUPAC
- ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(2-phenoxyacetyl)-4H-pyrazole-3-carboxylate
Names & synonyms
6073-28-5ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(2-phenoxyacetyl)-4H-pyrazole-3-carboxylateEthyl 5-(4-chlorophenyl)-5-hydroxy-1-(2-phenoxyacetyl)-4,5-dihydro-1H-pyrazole-3-carboxylateethyl 5-(4-chlorophenyl)-5-hydroxy-1-(phenoxyacetyl)-4,5-dihydro-1H-pyrazole-3-carboxylateCBMicro_048664ChemDiv1_007678Oprea1_468740Oprea1_781351MLS000712281CHEMBL1567551HMS608M22DTXSID30387235
Show more names
AKOS000592177AKOS024304568SMR000282048BIM-0048887.P001ST50235537ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(2-phenoxyacetyl)-2-pyrazoline-3-carboxyl ate
Database identifiers
- CAS
6073-28-5- PubChem CID
- 2884571
- DTXSID
DTXSID30387235- ChEMBL
CHEMBL1567551
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 599
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Related reactions
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Compound notes
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