| CAS Number | 1625680-27-4 |
| Catalog Number | AG00HYRQ(AGN-PC-0WR3PW) |
| Chemical Name | tert-Butyl 4-(3-(4-nitro-1h-pyrazol-1-yl)propyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-[3-(4-nitropyrazol-1-yl)propyl]piperidine-1-carboxylate |
| InChI | InChI=1S/C16H26N4O4/c1-16(2,3)24-15(21)18-9-6-13(7-10-18)5-4-8-19-12-14(11-17-19)20(22)23/h11-13H,4-10H2,1-3H3 |
| InChI Key | SSVHXFRUVCRCTQ-UHFFFAOYSA-N |
| MDL Number | MFCD29920227 |
| Molecular Formula | C16H26N4O4 |
| Molecular Weight | 338.4020 |
| SMILES | O=C(N1CCC(CC1)CCCn1ncc(c1)[N+](=O)[O-])OC(C)(C)C |
| Synonyms | 1625680-27-4,
tert-Butyl 4-(3-(4-nitro-1H-pyrazol-1-yl)propyl)piperidine-1-carboxylate,
SCHEMBL16012381,
SSVHXFRUVCRCTQ-UHFFFAOYSA-N,
MFCD29920227,
ZINC225014719,
tert-butyl 4-(3-(4-nitro-1H-pyrazol-1-yl)propyl)-piperidine-1-carboxylate,
TERT-BUTYL 4-[3-(4-NITROPYRAZOL-1-YL)PROPYL]PIPERIDINE-1-CARBOXYLATE,
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| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.408g/mol |
| Monoisotopic Mass | 338.195g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 93.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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