| CAS Number | 22407-20-1 |
| Catalog Number | AG00C2O1(AGN-PC-0WABFY) |
| Chemical Name | 3-(Formylamino)-1H-pyrazole-4-carboxamide |
| IUPAC Name | 5-formamido-1H-pyrazole-4-carboxamide |
| InChI | InChI=1S/C5H6N4O2/c6-4(11)3-1-8-9-5(3)7-2-10/h1-2H,(H2,6,11)(H2,7,8,9,10) |
| InChI Key | MKVXRGIJTKYXPR-UHFFFAOYSA-N |
| MDL Number | MFCD21363438 |
| Molecular Formula | C5H6N4O2 |
| Molecular Weight | 154.1267 |
| SMILES | NC(=O)c1cn[nH]c1NC=O |
| UNII | 0204JQL303 |
| Synonyms | 22407-20-1,
5-formamido-1H-pyrazole-4-carboxamide,
UNII-0204JQL303,
Allopurinol Impurity B,
5-FORMYLAMINO-1H-PYRAZOLE-4-CARBOXAMIDE,
3-(Formylamino)-1H-pyrazole-4-carboxamide,
0204JQL303,
Allopurinol Related Compound B,
Allopurinol impurity B [EP],
Pyrazole-4-carboxamide, 3-formamido-,
1H-Pyrazole-4-carboxamide, 3-(formylamino)-,
DTXSID50176941,
3-Formamidopyrazole-4-carboxamide,
ZINC67664815,
AKOS025405241,
FCH1611796,
5-(formylamino)-1H-pyrazole-4-carboxamide,
FT-0668815,
CS-CY-00005,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.129g/mol |
| Monoisotopic Mass | 154.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number