| CAS Number | 26262-07-7 |
| Catalog Number | AG01A3CD(AGN-PC-0HF3K8) |
| Chemical Name | 5-Amino-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-amino-1-propan-2-ylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C7H11N3O2/c1-4(2)10-6(8)5(3-9-10)7(11)12/h3-4H,8H2,1-2H3,(H,11,12) |
| InChI Key | IAJRTGABDFKUSX-UHFFFAOYSA-N |
| MDL Number | MFCD20642446 |
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.1811 |
| SMILES | NC1=C(C=NN1C(C)C)C(=O)O |
| Synonyms | 26262-07-7,
5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid,
5-amino-1-isopropyl-1H-pyrazole-4-carboxylic acid,
SCHEMBL1694496,
IAJRTGABDFKUSX-UHFFFAOYSA-N,
ZINC90225684,
AKOS017531778,
CS-W000080,
MCULE-9480817118,
NE45499,
Z1820007381,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.184g/mol |
| Monoisotopic Mass | 169.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number