| CAS Number | 1201916-87-1 |
| Catalog Number | AG00HFAD(AGN-PC-0WQYCL) |
| Chemical Name | tert-Butyl 4-(4-nitro-1H-pyrazol-1-yl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C13H20N4O4/c1-13(2,3)21-12(18)15-6-4-10(5-7-15)16-9-11(8-14-16)17(19)20/h8-10H,4-7H2,1-3H3 |
| InChI Key | JKRMWACLUFEWPC-UHFFFAOYSA-N |
| MDL Number | MFCD14155810 |
| Molecular Formula | C13H20N4O4 |
| Molecular Weight | 296.3223 |
| SMILES | [N+](=O)([O-])C=1C=NN(C1)C1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1201916-87-1,
tert-butyl 4-(4-nitro-1H-pyrazol-1-yl)piperidine-1-carboxylate,
tert-butyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate,
SCHEMBL1558660,
JKRMWACLUFEWPC-UHFFFAOYSA-N,
tert-butyl4-(4-nitro-1H-pyrazol-1-yl)piperidine-1-carboxylate,
MFCD14155810,
ZINC74938170,
AKOS027430946,
EN300-131162,
K-1424,
4-(4-nitro-pyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester,
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| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.327g/mol |
| Monoisotopic Mass | 296.148g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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