| CAS Number | 1256643-50-1 |
| Catalog Number | AG009DQY(AGN-PC-0WONJE) |
| Chemical Name | 1-isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid |
| IUPAC Name | 1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H15N3O2/c1-6(2)13-8-3-4-11-5-7(8)9(12-13)10(14)15/h6,11H,3-5H2,1-2H3,(H,14,15) |
| InChI Key | FIVYOYKXMCXQOV-UHFFFAOYSA-N |
| MDL Number | MFCD18381932 |
| Molecular Formula | C10H15N3O2 |
| Molecular Weight | 209.2450 |
| SMILES | OC(=O)c1nn(c2c1CNCC2)C(C)C |
| Synonyms | 1256643-50-1,
1-Isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid,
ZX-CM011328,
MFCD18381932,
ZINC54957040,
AJ-112452,
Y-7898,
1-isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid(SALTDATA,
FIVYOYKXMCXQOV-UHFFFAOYSA-N,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.249g/mol |
| Monoisotopic Mass | 209.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number