| CAS Number | 1183136-69-7 |
| Catalog Number | AG01AFWX |
| Chemical Name | 1,3-Dimethyl-5-(4-methyl-1H-pyrazol-1-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1,3-dimethyl-5-(4-methylpyrazol-1-yl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H12N4O2/c1-6-4-11-14(5-6)9-8(10(15)16)7(2)12-13(9)3/h4-5H,1-3H3,(H,15,16) |
| InChI Key | OSTLIPJEMYVALT-UHFFFAOYSA-N |
| MDL Number | MFCD12800710 |
| Molecular Formula | C10H12N4O2 |
| Molecular Weight | 220.2279 |
| SMILES | CC1=CN(C2N(C)N=C(C)C=2C(O)=O)N=C1 |
| Synonyms | 1,3-dimethyl-5-(4-methyl-1H-pyrazol-1-yl)-1H-pyrazole-4-carboxylic acid,
1183136-69-7,
ZINC37677474,
AKOS010093545,
MCULE-8366635128,
NE29655,
Z1816233858,
2',4,5'-trimethyl-2'H-[1,3'-bipyrazole]-4'-carboxylic acid,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.232g/mol |
| Monoisotopic Mass | 220.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number