Basic information
- CAS
26502-59-0- Standard SMILES
CCOC(=O)c1nn(-c2ccc(C)cc2)cc1O- InChIKey
RSZMACLXIVZQTD-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Overview
4-hydroxy-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester is a member of pyrazoles and a ring assembly.
Names & identifiers
- Preferred name
- Ethyl 4-hydroxy-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 4-hydroxy-1-(4-methylphenyl)pyrazole-3-carboxylate
Names & synonyms
26502-59-0ethyl 4-hydroxy-1-(4-methylphenyl)-1H-pyrazole-3-carboxylateRefChem:343982Ethyl 4-hydroxy-1-(p-tolyl)-1h-pyrazole-3-carboxylateethyl 4-hydroxy-1-(4-methylphenyl)pyrazole-3-carboxylate4-hydroxy-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl esterMLS000067724Oprea1_065462Oprea1_521323CHEMBL1363746CHEBI:105303DTXSID101185983
Show more names
HMS2170D13HMS3315D094-Hydroxy-1-p-tolyl-1H-pyrazole-3-carboxylic acid ethyl esterAKOS000540132SDCCGSBI-0660511.P001SMR000125067CS-0299017ST50051250
Database identifiers
- CAS
26502-59-0- PubChem CID
- 730283
- DTXSID
DTXSID101185983- ChEMBL
CHEMBL1363746- ChEBI
CHEBI:105303
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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