| CAS Number | 1015868-55-9 |
| Catalog Number | AG01AR62(AGN-PC-0WCNFY) |
| Chemical Name | 1-Methyl-3-(p-tolyl)-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 2-methyl-5-(4-methylphenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C12H12N2O2/c1-8-3-5-9(6-4-8)10-7-11(12(15)16)14(2)13-10/h3-7H,1-2H3,(H,15,16) |
| InChI Key | AGBUJDQCUQIKLE-UHFFFAOYSA-N |
| MDL Number | MFCD08445995 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | CC1=CC=C(C2=NN(C)C(C(O)=O)=C2)C=C1 |
| Synonyms | 1015868-55-9,
1-METHYL-3-P-TOLYL-1H-PYRAZOLE-5-CARBOXYLIC ACID,
1-methyl-3-(4-methylphenyl)-1{H}-pyrazole-5-carboxylic acid,
1-methyl-3-(p-tolyl)-1H-pyrazole-5-carboxylic acid,
1-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid,
2-methyl-5-(4-methylphenyl)pyrazole-3-carboxylic acid,
ZINC9280221,
BBL031016,
STL313352,
AKOS000349571,
MCULE-4986272180,
BB 0219354,
L-3544,
F1967-0147,
1-Methyl-3-p-tolyl-1H-pyrazole-5-carboxylic acid, AldrichCPR,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number