| CAS Number | 1152964-72-1 |
| Catalog Number | AG01AHWX(AGN-PC-0WO4BI) |
| Chemical Name | 4-(5-Amino-1H-pyrazol-1-yl)benzonitrile |
| IUPAC Name | 4-(5-aminopyrazol-1-yl)benzonitrile |
| InChI | InChI=1S/C10H8N4/c11-7-8-1-3-9(4-2-8)14-10(12)5-6-13-14/h1-6H,12H2 |
| InChI Key | IDJXQZRBIMFECC-UHFFFAOYSA-N |
| MDL Number | MFCD11641451 |
| Molecular Formula | C10H8N4 |
| Molecular Weight | 184.1973 |
| SMILES | NC1N(C2=CC=C(C#N)C=C2)N=CC=1 |
| Synonyms | 4-(5-amino-1H-pyrazol-1-yl)benzonitrile,
1152964-72-1,
ZINC37245407,
AKOS009458759,
MCULE-8305720696,
NE26981,
EN300-76037,
Z1526503295,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.202g/mol |
| Monoisotopic Mass | 184.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number