| CAS Number | 1449117-76-3 |
| Catalog Number | AG001KCI(AGN-PC-0WAG82) |
| Chemical Name | 1-Piperazinecarboxylic acid, 4-[2-[4-(hydroxymethyl)-1H-pyrazol-1-yl]-4-pyridinyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-[2-[4-(hydroxymethyl)pyrazol-1-yl]pyridin-4-yl]piperazine-1-carboxylate |
| InChI | InChI=1S/C18H25N5O3/c1-18(2,3)26-17(25)22-8-6-21(7-9-22)15-4-5-19-16(10-15)23-12-14(13-24)11-20-23/h4-5,10-12,24H,6-9,13H2,1-3H3 |
| InChI Key | SGKFYPZPKOXSKM-UHFFFAOYSA-N |
| MDL Number | MFCD23704674 |
| Molecular Formula | C18H25N5O3 |
| Molecular Weight | 359.4228 |
| SMILES | OCC=1C=NN(C1)C1=NC=CC(=C1)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1449117-76-3,
tert-Butyl 4-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)pyridin-4-yl)piperazine-1-carboxylate,
tert-Butyl 4-[2-[4-(hydroxymethyl)pyrazol-1-yl]pyridin-4-yl]piperazine-1-carboxylate,
MFCD23704674,
ZINC95829782,
AKOS024463105,
AK161396,
OR302566,
AJ-133952,
AX8294340,
CS-0036635,
tert-butyl 4-[2-[4-(hydroxymethyl)pyrazol-1-yl]-4-pyridyl]piperazine-1-carboxylate,
tert-butyl 4-(2-(4-(hydroxymethyl)-1H-pyrazol-1-yl)pyridin-4-yl)piperazine-1-carboxylate, 95% - 1G 1g,
|
| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 359.43g/mol |
| Monoisotopic Mass | 359.196g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number