| CAS Number | 1654723-08-6 |
| Catalog Number | AG01C7CV |
| Chemical Name | 3-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H15N3O4/c1-10(2,3)17-9(16)11-7-6(8(14)15)5-13(4)12-7/h5H,1-4H3,(H,14,15)(H,11,12,16) |
| InChI Key | PCLCSLYRVSPJKB-UHFFFAOYSA-N |
| MDL Number | MFCD29058801 |
| Molecular Formula | C10H15N3O4 |
| Molecular Weight | 241.2438 |
| SMILES | CN1N=C(NC(OC(C)(C)C)=O)C(C(O)=O)=C1 |
| Synonyms | 1654723-08-6,
3-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrazole-4-carboxylic acid,
3-{[(tert-Butoxy)carbonyl]amino}-1-methyl-1H-pyrazole-4-carboxylic acid,
SCHEMBL16447788,
PCLCSLYRVSPJKB-UHFFFAOYSA-N,
AKOS027329342,
ZINC261508033,
3-{[(tert-butoxy)carbonyl]amino}1-methyl-1H-pyrazole-4-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 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number