| CAS Number | 1052558-49-2 |
| Catalog Number | AG019UQ9 |
| Chemical Name | N-(3-aminophenyl)-3-(1H-pyrazol-1-yl)propanamide |
| IUPAC Name | N-(3-aminophenyl)-3-pyrazol-1-ylpropanamide |
| InChI | InChI=1S/C12H14N4O/c13-10-3-1-4-11(9-10)15-12(17)5-8-16-7-2-6-14-16/h1-4,6-7,9H,5,8,13H2,(H,15,17) |
| InChI Key | PTVYICJOEBDZCJ-UHFFFAOYSA-N |
| MDL Number | MFCD09739736 |
| Molecular Formula | C12H14N4O |
| Molecular Weight | 230.2658 |
| SMILES | NC1=CC(NC(CCN2N=CC=C2)=O)=CC=C1 |
| Synonyms | N-(3-aminophenyl)-3-(1H-pyrazol-1-yl)propanamide,
1052558-49-2,
AC1Q51PY,
CTK7G6986,
ZINC22222902,
AKOS000146166,
MCULE-8693940535,
NE59335,
EN300-42513,
Z432066904,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.271g/mol |
| Monoisotopic Mass | 230.117g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number