| CAS Number | 926223-39-4 |
| Catalog Number | AG019LLF |
| Chemical Name | 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid |
| IUPAC Name | 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid |
| InChI | InChI=1S/C13H16N4O2/c1-7-5-8(2)15-13(14-7)17-10(4)11(6-12(18)19)9(3)16-17/h5H,6H2,1-4H3,(H,18,19) |
| InChI Key | QOIUFWBNBTVFLB-UHFFFAOYSA-N |
| MDL Number | MFCD09049166 |
| Molecular Formula | C13H16N4O2 |
| Molecular Weight | 260.2917 |
| SMILES | CC1C(CC(O)=O)=C(C)N(C2=NC(C)=CC(C)=N2)N=1 |
| Synonyms | 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid,
926223-39-4,
[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid,
AC1Q2PK1,
CTK8F2322,
ZINC20282437,
AKOS000133082,
MCULE-5927279219,
NE14202,
EN300-31684,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.297g/mol |
| Monoisotopic Mass | 260.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number