| CAS Number | 1457535-50-0 |
| Catalog Number | AG01BXKL |
| Chemical Name | 4-[(1-methyl-1H-pyrazol-4-yl)amino]benzoic acid |
| IUPAC Name | 4-[(1-methylpyrazol-4-yl)amino]benzoic acid |
| InChI | InChI=1S/C11H11N3O2/c1-14-7-10(6-12-14)13-9-4-2-8(3-5-9)11(15)16/h2-7,13H,1H3,(H,15,16) |
| InChI Key | CMHUFMNLZPLPGF-UHFFFAOYSA-N |
| MDL Number | MFCD16840964 |
| Molecular Formula | C11H11N3O2 |
| Molecular Weight | 217.2239 |
| SMILES | CN1N=CC(NC2=CC=C(C(O)=O)C=C2)=C1 |
| Synonyms | 4-[(1-methyl-1H-pyrazol-4-yl)amino]benzoic acid,
1457535-50-0,
ZINC50913113,
AKOS011513222,
|
| Complexity | 252 |
| 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 | 3 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number