| CAS Number | 1803567-45-4 |
| Catalog Number | AG01BAXY |
| Chemical Name | 5-methyl-1-(piperidin-4-yl)-1H-pyrazole-4-carboxylic acid dihydrochloride |
| IUPAC Name | 5-methyl-1-piperidin-4-ylpyrazole-4-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C10H15N3O2.2ClH/c1-7-9(10(14)15)6-12-13(7)8-2-4-11-5-3-8;;/h6,8,11H,2-5H2,1H3,(H,14,15);2*1H |
| InChI Key | AHPLSTWCJUQQIW-UHFFFAOYSA-N |
| MDL Number | MFCD28397771 |
| Molecular Formula | C10H17Cl2N3O2 |
| Molecular Weight | 282.1669 |
| SMILES | Cl.Cl.CC1N(C2CCNCC2)N=CC=1C(O)=O |
| Synonyms | 5-methyl-1-(piperidin-4-yl)-1H-pyrazole-4-carboxylic acid dihydrochloride,
1803567-45-4,
AKOS033755109,
Z2065788236,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.165g/mol |
| Monoisotopic Mass | 281.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number