| CAS Number | 88398-54-3 |
| Catalog Number | AG01A744(AGN-PC-00M5CK) |
| Chemical Name | 3,5-dimethyl-1H-pyrazole-4-sulfonamide |
| IUPAC Name | 3,5-dimethyl-1H-pyrazole-4-sulfonamide |
| InChI | InChI=1S/C5H9N3O2S/c1-3-5(11(6,9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H2,6,9,10) |
| InChI Key | MHQFEOHPKNBRIC-UHFFFAOYSA-N |
| MDL Number | MFCD00233475 |
| Molecular Formula | C5H9N3O2S |
| Molecular Weight | 175.2089 |
| SMILES | CC1C(S(N)(=O)=O)=C(C)NN=1 |
| Synonyms | 3,5-dimethyl-1H-pyrazole-4-sulfonamide,
88398-54-3,
AC1Q2Q4T,
SCHEMBL5136165,
CTK6B2703,
ZINC19260555,
AKOS000149646,
MCULE-8360906886,
NE42858,
DB-077277,
FT-0722775,
EN300-57651,
Z192974676,
1H-Pyrazole-4-sulfonamide, 3,5-dimethyl- (9CI),
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.206g/mol |
| Monoisotopic Mass | 175.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 97.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number