| CAS Number | 1178480-88-0 |
| Catalog Number | AG01ACB3 |
| Chemical Name | 4-(pyrrolidine-1-sulfonyl)-1H-pyrazole |
| IUPAC Name | 4-pyrrolidin-1-ylsulfonyl-1H-pyrazole |
| InChI | InChI=1S/C7H11N3O2S/c11-13(12,7-5-8-9-6-7)10-3-1-2-4-10/h5-6H,1-4H2,(H,8,9) |
| InChI Key | SYFWZYPOTOGISN-UHFFFAOYSA-N |
| MDL Number | MFCD12805038 |
| Molecular Formula | C7H11N3O2S |
| Molecular Weight | 201.2461 |
| SMILES | O=S(C1=CNN=C1)(N1CCCC1)=O |
| Synonyms | 4-(pyrrolidine-1-sulfonyl)-1H-pyrazole,
1178480-88-0,
ZINC37732274,
NE57447,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.244g/mol |
| Monoisotopic Mass | 201.057g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number