| CAS Number | 1177287-69-2 |
| Catalog Number | AG01AART(AGN-PC-0WOBY9) |
| Chemical Name | 5-amino-1-(pyridin-4-yl)-1H-pyrazole-4-carboxamide |
| IUPAC Name | 5-amino-1-pyridin-4-ylpyrazole-4-carboxamide |
| InChI | InChI=1S/C9H9N5O/c10-8-7(9(11)15)5-13-14(8)6-1-3-12-4-2-6/h1-5H,10H2,(H2,11,15) |
| InChI Key | SZDYTBKYBFKZIY-UHFFFAOYSA-N |
| MDL Number | MFCD11574374 |
| Molecular Formula | C9H9N5O |
| Molecular Weight | 203.2007 |
| SMILES | NC(C1=C(N)N(C2=CC=NC=C2)N=C1)=O |
| Synonyms | 5-amino-1-(pyridin-4-yl)-1H-pyrazole-4-carboxamide,
EN300-69393,
1177287-69-2,
AC1Q4Z63,
ZINC20388624,
AKOS017348561,
AKOS026243069,
ZINC100815636,
FCH1684556,
MCULE-6569050363,
NE48048,
BBV-45070582,
Z1682072394,
3-imino-2-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.205g/mol |
| Monoisotopic Mass | 203.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 99.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number