| CAS Number | 1240238-30-5 |
| Catalog Number | AG01ARZT(AGN-PC-0WCNQV) |
| Chemical Name | 1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperazine hydrochloride |
| IUPAC Name | 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine;hydrochloride |
| InChI | InChI=1S/C9H16N4O2S.ClH/c1-7-9(8(2)12-11-7)16(14,15)13-5-3-10-4-6-13;/h10H,3-6H2,1-2H3,(H,11,12);1H |
| InChI Key | BFSFOABWLLZBAU-UHFFFAOYSA-N |
| MDL Number | MFCD10042187 |
| Molecular Formula | C9H17ClN4O2S |
| Molecular Weight | 280.7749 |
| SMILES | Cl.CC1C(S(N2CCNCC2)(=O)=O)=C(C)NN=1 |
| Synonyms | 1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperazine hydrochloride,
1240238-30-5,
AKOS016394821,
MCULE-9824782685,
L-2966,
F2145-0429,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.771g/mol |
| Monoisotopic Mass | 280.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number