1-(4-Ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
Basic information
- CAS
23920-80-1- Standard SMILES
CCOc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1- InChIKey
UJZJGGMBRSTTDS-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3S
- Average molar mass
- 280.34 g/mol
- Monoisotopic mass
- 280.08816355
Names & identifiers
- Preferred name
- 1-(4-Ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
- IUPAC
- 1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
Names & synonyms
1-(4-ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole23920-80-11-(4-Ethoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole1-[(4-ethoxyphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazoleOprea1_086762Oprea1_316223MLS001208011CHEMBL1380590DTXSID001321730HMS2849G12STK354293AKOS002284807
Show more names
NCGC00663623-01SMR000517368ST50810049AG-690/15438238SR-010003569311-[(4-ethoxyphenyl)sulfonyl]-3,5-dimethylpyrazoleSR-01000356931-1Z1456087120
Database identifiers
- CAS
23920-80-1- PubChem CID
- 847006
- DTXSID
DTXSID001321730- ChEMBL
CHEMBL1380590
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Experimental & physicochemical properties
Solubility6.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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