| CAS Number | 1394041-54-3 |
| Catalog Number | AG01A0J7 |
| Chemical Name | 1-(2-cyanoethyl)-1H-pyrazole-4-carboxamide |
| IUPAC Name | 1-(2-cyanoethyl)pyrazole-4-carboxamide |
| InChI | InChI=1S/C7H8N4O/c8-2-1-3-11-5-6(4-10-11)7(9)12/h4-5H,1,3H2,(H2,9,12) |
| InChI Key | SWSWARKJPJOEGV-UHFFFAOYSA-N |
| MDL Number | MFCD22378748 |
| Molecular Formula | C7H8N4O |
| Molecular Weight | 164.1646 |
| SMILES | NC(C1=CN(CCC#N)N=C1)=O |
| Synonyms | 1-(2-cyanoethyl)-1H-pyrazole-4-carboxamide,
1394041-54-3,
ZINC78210776,
AKOS019309719,
MCULE-6994242490,
NE48521,
Z1436472950,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.168g/mol |
| Monoisotopic Mass | 164.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number