| CAS Number | 1935120-59-4 |
| Catalog Number | AG00I2YY(AGN-PC-0WR27F) |
| Chemical Name | 2,5,6,7-Tetrahydro-pyrazolo[4,3-b]pyridine-4-carboxylic acid benzyl ester |
| IUPAC Name | benzyl 1,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-4-carboxylate |
| InChI | InChI=1S/C14H15N3O2/c18-14(19-10-11-5-2-1-3-6-11)17-8-4-7-12-13(17)9-15-16-12/h1-3,5-6,9H,4,7-8,10H2,(H,15,16) |
| InChI Key | PWYQAPVHBNRXKE-UHFFFAOYSA-N |
| MDL Number | MFCD28348688 |
| Molecular Formula | C14H15N3O2 |
| Molecular Weight | 257.2878 |
| SMILES | O=C(N1CCCc2c1c[nH]n2)OCc1ccccc1 |
| Synonyms | 1,5,6,7-Tetrahydro-pyrazolo[4,3-b]pyridine-4-carboxylic acid benzyl ester,
2,5,6,7-Tetrahydro-pyrazolo[4,3-b]pyridine-4-carboxylic acid benzyl ester,
1935120-59-4,
1935393-12-6,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.293g/mol |
| Monoisotopic Mass | 257.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number