| CAS Number | 1248262-23-8 |
| Catalog Number | AG01AUMF |
| Chemical Name | 1-Isopropyl-1H-pyrazole-4-sulfonamide |
| IUPAC Name | 1-propan-2-ylpyrazole-4-sulfonamide |
| InChI | InChI=1S/C6H11N3O2S/c1-5(2)9-4-6(3-8-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11) |
| InChI Key | OSIPVHZWWAFMCK-UHFFFAOYSA-N |
| MDL Number | MFCD14658024 |
| Molecular Formula | C6H11N3O2S |
| Molecular Weight | 189.2354 |
| SMILES | CC(N1N=CC(S(N)(=O)=O)=C1)C |
| Synonyms | 1248262-23-8,
1-Isopropyl-1H-pyrazole-4-sulfonamide,
1-(propan-2-yl)-1H-pyrazole-4-sulfonamide,
SCHEMBL18029805,
ZINC42415289,
AKOS010654220,
Z1270790524,
1-Isopropyl-1H-pyrazole-4-sulfonic acid amide,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.057198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.24g/mol |
| Monoisotopic Mass | 189.057198g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number