| CAS Number | 1169563-43-2 |
| Catalog Number | AG00HDRC |
| Chemical Name | 3-(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YLOXY)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID |
| IUPAC Name | 2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyrazole-3-carboxylic acid |
| InChI | InChI=1S/C15H23N3O5/c1-15(2,3)23-14(21)18-7-5-10(6-8-18)22-12-9-11(13(19)20)17(4)16-12/h9-10H,5-8H2,1-4H3,(H,19,20) |
| InChI Key | RCKUIIWCEPIQMH-UHFFFAOYSA-N |
| MDL Number | MFCD28404752 |
| Molecular Formula | C15H23N3O5 |
| Molecular Weight | 325.3602 |
| SMILES | CN1N=C(OC2CCN(CC2)C(=O)OC(C)(C)C)C=C1C(O)=O |
| Synonyms | 1169563-43-2,
3-(1-(tert-Butoxycarbonyl)piperidin-4-yloxy)-1-methyl-1H-pyrazole-5-carboxylic acid,
3-((1-(tert-Butoxycarbonyl)piperidin-4-yl)oxy)-1-methyl-1H-pyrazole-5-carboxylic acid,
SCHEMBL1853083,
RCKUIIWCEPIQMH-UHFFFAOYSA-N,
MFCD28404752,
ZINC117317010,
AS-40042,
1,1-dimethylethyl 4-(5-(carboxy)-1-methyl-1H-pyrazol-3-yloxy)piperidine-1-carboxylate,
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| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.365g/mol |
| Monoisotopic Mass | 325.164g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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