| CAS Number | 1197965-65-3 |
| Catalog Number | AG019WTV |
| Chemical Name | 3-(4-Aminophenyl)-1-methyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 3-(4-aminophenyl)-1-methylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C11H11N3O2/c1-14-6-9(11(15)16)10(13-14)7-2-4-8(12)5-3-7/h2-6H,12H2,1H3,(H,15,16) |
| InChI Key | YVJTZYQAEADMNF-UHFFFAOYSA-N |
| MDL Number | MFCD12913206 |
| Molecular Formula | C11H11N3O2 |
| Molecular Weight | 217.2239 |
| SMILES | O=C(C1=CN(C)N=C1C2=CC=C(N)C=C2)O |
| Synonyms | 3-(4-aminophenyl)-1-methyl-1H-pyrazole-4-carboxylic acid,
1197965-65-3,
AC1Q3YQV,
CTK7J0461,
ZINC38342134,
AKOS023166286,
MCULE-2463017853,
NE50502,
EN300-53128,
Z803129890,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.228g/mol |
| Monoisotopic Mass | 217.085g/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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number