| CAS Number | 1422386-02-4 |
| Catalog Number | AG01A6EE(AGN-PC-0WOB3Z) |
| Chemical Name | 1-(1-[(tert-Butoxy)carbonyl]piperidin-3-yl)-1h-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16-6-4-5-11(9-16)17-8-10(7-15-17)12(18)19/h7-8,11H,4-6,9H2,1-3H3,(H,18,19) |
| InChI Key | ZTQAPANOXVJNDD-UHFFFAOYSA-N |
| MDL Number | MFCD25371800 |
| Molecular Formula | C14H21N3O4 |
| Molecular Weight | 295.3342 |
| SMILES | CC(OC(N1CC(N2N=CC(C(O)=O)=C2)CCC1)=O)(C)C |
| Synonyms | 1-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1H-pyrazole-4-carboxylic acid,
1422386-02-4,
SCHEMBL14692753,
AKOS026729646,
MCULE-2720325119,
NE18195,
FT-0727406,
Z1649677855,
1-(1-(tert-butoxycarbonyl)piperidin-3-yl)-1H-pyrazole-4-carboxylic acid,
|
| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.339g/mol |
| Monoisotopic Mass | 295.153g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number