ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate
Basic information
- CAS
51986-04-0- Standard SMILES
CCOC(=O)c1cc(=O)n(C2CCS(=O)(=O)C2)[nH]1- InChIKey
GZTLJCPVJKMPGR-UHFFFAOYSA-N- Molecular formula
- C10H14N2O5S
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.06234272
Names & identifiers
- Preferred name
- ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate
- IUPAC
- ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate
- English name
- 3-Ethoxycarbonyl-5-hydroxy-1-sulfolanylpyrazole
- Molecular formula
- C10H14N2O5S
- Molecular weight
- 274.29
Names & synonyms
Ethyl 5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylateS,S-dioxideethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylateDTXSID90966303CARZZYHQSCIFHG-UHFFFAOYSA-NGZTLJCPVJKMPGR-UHFFFAOYSA-NEINECS 257-577-9MFCD08460258AKOS015906020NS00059188Ethyl 1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate3-Ethoxycarbonyl-5-hydroxy-1-sulphonylpyrazole1-Sulfolane 3-Ethoxycarbonyl-5-hydroxypyrazole
Show more names
3-Ethoxycarbonyl-5-Hydroxy-1-Sulfolanyl-PyrazoleEthyl 1-(1,1-dioxothiolan-3-yl)-5-oxo-2H-pyrazole-3-carboxylateethyl 5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carbo...2-(1,1-dioxo-3-thiolanyl)-3-oxo-1H-pyrazole-5-carboxylic acid ethyl esterEthyl 5-hydroxy-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazole-3-carboxylateethyl 5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylate S,S-dioxide3-[3-(Ethoxycarbonyl)-5-hydroxy-1H-pyrazol-1-yl]tetrahydrothiophene 1,1-dioxide
Database identifiers
- CAS
51986-04-0- PubChem CID
- 103575
- DTXSID
DTXSID90966303
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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