Basic information
- CAS
1251259-25-2- Standard SMILES
CNC(CS(C)(=O)=O)c1cnn(C)c1- InChIKey
XOWCFGWMBVZFEX-UHFFFAOYSA-N- Molecular formula
- C8H15N3O2S
- Average molar mass
- 217.29 g/mol
- Monoisotopic mass
- 217.0884979
Names & identifiers
- Preferred name
- 1H-Pyrazole-4-methanamine, N,1-dimethyl-I+/--[(methylsulfonyl)methyl]-
- IUPAC
- N-methyl-1-(1-methylpyrazol-4-yl)-2-methylsulfonylethanamine
Names & synonyms
DTXSID7011626301H-Pyrazole-4-methanamine, N,1-dimethyl-I+/--[(methylsulfonyl)methyl]-2-(Methanesulfonyl)-N-methyl-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine1251259-25-2
Database identifiers
- CAS
1251259-25-2- PubChem CID
- 82239331
- DTXSID
DTXSID701162630
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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