| CAS Number | 1076224-00-4 |
| Catalog Number | AG00HB11(AGN-PC-0WQZS4) |
| Chemical Name | N-(N-BOC-Piperidino)pyrazole-4-carboxaldehyde |
| IUPAC Name | tert-butyl 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-6-4-12(5-7-16)17-9-11(10-18)8-15-17/h8-10,12H,4-7H2,1-3H3 |
| InChI Key | DSBDTGZARKKWJQ-UHFFFAOYSA-N |
| MDL Number | MFCD19687734 |
| Molecular Formula | C14H21N3O3 |
| Molecular Weight | 279.3348 |
| SMILES | O=CC=1C=NN(C1)C2CCN(C(=O)OC(C)(C)C)CC2 |
| Synonyms | 1076224-00-4,
N-(N-BOC-Piperidino)pyrazole-4-carboxaldehyde,
DSBDTGZARKKWJQ-UHFFFAOYSA-N,
SCHEMBL1555690,
tert-butyl 4-(4-formyl-1H-pyrazol-1-yl)piperidine-1-carboxylate,
ZINC116509934,
4-(4-formyl-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.34g/mol |
| Monoisotopic Mass | 279.158g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number