Basic information
- Standard SMILES
COC(=O)c1cc(COS(C)(=O)=O)nn1-c1ncccc1Cl- InChIKey
IPOVQEQJGOGWFT-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O5S
- Average molar mass
- 345.76 g/mol
Names & identifiers
- Preferred name
- Methyl 1-(3-chloropyridin-2-yl)-3-{[(methylsulfonyl)oxy]methyl}-1H-pyrazole-5-carboxylate
- IUPAC
- methyl 1-(3-chloro-2-pyridinyl)-3-(methylsulfonyloxymethyl)pyrazole-5-carboxylate
Names & synonyms
SCHEMBL384668IPOVQEQJGOGWFT-UHFFFAOYSA-NMethyl 1-(3-chloropyridin-2-yl)-3-{[(methylsulfonyl)oxy]methyl}-1H-pyrazole-5-carboxylatemethyl 2-(3-chloropyridin-2-yl)-5-methane-sulphonyloxymethyl-2H-pyrazole-3-carboxylateMethyl 2-(3-chloropyridin-2-yl)-5-methanesulphonyloxymethyl-2H-pyrazole-3-carboxylate
Database identifiers
- PubChem CID
- 58320697
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 497
Related reactions
9 records
Compound notes
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