| CAS Number | 128883-83-0 |
| Catalog Number | AG01BJ1W(AGN-PC-0WG421) |
| Chemical Name | 3-((tert-butoxycarbonyl)amino)-1-methyl-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)11-7-5-6(8(14)15)13(4)12-7/h5H,1-4H3,(H,14,15)(H,11,12,16) |
| InChI Key | RDGBHWPHTCTABM-UHFFFAOYSA-N |
| MDL Number | MFCD19105262 |
| Molecular Formula | C10H15N3O4 |
| Molecular Weight | 241.2438 |
| SMILES | CN1C(C(O)=O)=CC(NC(OC(C)(C)C)=O)=N1 |
| Synonyms | 128883-83-0,
3-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrazole-5-carboxylic acid,
SCHEMBL16629255,
MFCD19105262,
AKOS023775086,
ZINC196836213,
3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-1H-Pyrazole-5-carboxylic acid,
DA-17694,
CS-0056888,
FT-0752789,
3-((t-Butoxycarbonyl)amino)-1-methyl-1H-pyrazole-5-carboxylic acid,
3-{[(tert-Butoxy)carbonyl]amino}-1-methyl-1H-pyrazole-5-carboxylic acid,
2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-3-carboxylic acid,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.247g/mol |
| Monoisotopic Mass | 241.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number