| CAS Number | 1394755-36-2 |
| Catalog Number | AG01A0JG |
| Chemical Name | 5-amino-1-(3-bromophenyl)-1H-pyrazole-4-carboxamide |
| IUPAC Name | 5-amino-1-(3-bromophenyl)pyrazole-4-carboxamide |
| InChI | InChI=1S/C10H9BrN4O/c11-6-2-1-3-7(4-6)15-9(12)8(5-14-15)10(13)16/h1-5H,12H2,(H2,13,16) |
| InChI Key | YCEFAOAOQIFVOE-UHFFFAOYSA-N |
| MDL Number | MFCD22392063 |
| Molecular Formula | C10H9BrN4O |
| Molecular Weight | 281.1087 |
| SMILES | NC(C1=C(N)N(C2=CC(Br)=CC=C2)N=C1)=O |
| Synonyms | 5-amino-1-(3-bromophenyl)-1H-pyrazole-4-carboxamide,
1394755-36-2,
MFCD22392063,
ZINC79112064,
AKOS019309651,
MCULE-3152921541,
NE42731,
AS-43065,
AJ-123118,
EN300-110253,
Z1442209473,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.113g/mol |
| Monoisotopic Mass | 279.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number