1-Methyl-1H-pyrazole-4-sulfonic acid (2,2-dimethoxy-ethyl)-methyl-amide
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Basic information
- Standard SMILES
COC(CN(C)S(=O)(=O)c1cnn(C)c1)OC- InChIKey
JLMZAXLXRZGFNN-UHFFFAOYSA-N- Molecular formula
- C9H17N3O4S
- Average molar mass
- 263.32 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-1H-pyrazole-4-sulfonic acid (2,2-dimethoxy-ethyl)-methyl-amide
- IUPAC
- N-(2,2-dimethoxyethyl)-N,1-dimethylpyrazole-4-sulfonamide
Names & synonyms
SCHEMBL2333697JLMZAXLXRZGFNN-UHFFFAOYSA-N1-Methyl-1H-pyrazole-4-sulfonic acid (2,2-dimethoxy-ethyl)-methyl-amide
Database identifiers
- PubChem CID
- 67367404
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
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Related reactions
4 records
Compound notes
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