| CAS Number | 2091896-93-2 |
| Catalog Number | AG01BKCK |
| Chemical Name | 1-{1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidin-3-yl}-1h-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C24H23N3O4/c28-23(29)16-12-25-27(13-16)17-6-5-11-26(14-17)24(30)31-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,12-13,17,22H,5-6,11,14-15H2,(H,28,29) |
| InChI Key | ZPSYNRLJRRDQCX-UHFFFAOYSA-N |
| MDL Number | MFCD31559753 |
| Molecular Formula | C24H23N3O4 |
| Molecular Weight | 417.4571 |
| SMILES | OC(C1=CN(C2CN(C(OCC3C4=C(C=CC=C4)C4=C3C=CC=C4)=O)CCC2)N=C1)=O |
| Synonyms | 1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-3-yl)-1H-pyrazole-4-carboxylic acid,
2091896-93-2,
AKOS033866276,
|
| Complexity | 651 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 417.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.465g/mol |
| Monoisotopic Mass | 417.169g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Lot Number