| CAS Number | 1206153-61-8 |
| Catalog Number | AG019X5O |
| Chemical Name | 1-(4,6-dimethylpyrimidin-2-yl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 2-(4,6-dimethylpyrimidin-2-yl)-4-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid |
| InChI | InChI=1S/C12H14N4O4/c1-6-5-7(2)14-12(13-6)16-10(18)8(3-4-17)9(15-16)11(19)20/h5,15,17H,3-4H2,1-2H3,(H,19,20) |
| InChI Key | ONRRAUZLIKBFLA-UHFFFAOYSA-N |
| MDL Number | MFCD13196008 |
| Molecular Formula | C12H14N4O4 |
| Molecular Weight | 278.2640 |
| SMILES | CC1=NC(N2C(=O)C(CCO)=C(C(O)=O)N2)=NC(C)=C1 |
| Synonyms | 1-(4,6-dimethylpyrimidin-2-yl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid,
1206153-61-8,
AC1Q2ICM,
CTK8A3685,
BBL011153,
MFCD13196008,
SBB081395,
STK928875,
ZINC38342262,
AKOS000276462,
MCULE-1907009179,
NE18089,
EN300-54099,
Z1258992584,
1-(4,6-dimethylpyrimidin-2-yl)-4-(2-hydroxyethyl)-5-oxo-3-pyrazoline-3-carboxy lic acid,
|
| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.268g/mol |
| Monoisotopic Mass | 278.102g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number