| CAS Number | 1153157-48-2 |
| Catalog Number | AG01AI16(AGN-PC-0WO57A) |
| Chemical Name | 1-(2-aminophenyl)-1H-pyrazole-3-carboxamide |
| IUPAC Name | 1-(2-aminophenyl)pyrazole-3-carboxamide |
| InChI | InChI=1S/C10H10N4O/c11-7-3-1-2-4-9(7)14-6-5-8(13-14)10(12)15/h1-6H,11H2,(H2,12,15) |
| InChI Key | KIXKHKBYNRXGQN-UHFFFAOYSA-N |
| MDL Number | MFCD12177643 |
| Molecular Formula | C10H10N4O |
| Molecular Weight | 202.2126 |
| SMILES | NC(C1=NN(C2=C(N)C=CC=C2)C=C1)=O |
| Synonyms | 1-(2-aminophenyl)-1H-pyrazole-3-carboxamide,
1153157-48-2,
EN300-76440,
ZINC35428217,
AKOS009517059,
MCULE-7949655318,
NE28088,
Z1267881680,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.217g/mol |
| Monoisotopic Mass | 202.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number