| CAS Number | 1107061-06-2 |
| Catalog Number | AG019VUQ |
| Chemical Name | 3-(1-benzofuran-2-yl)-1H-pyrazol-5-amine |
| IUPAC Name | 5-(1-benzofuran-2-yl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C11H9N3O/c12-11-6-8(13-14-11)10-5-7-3-1-2-4-9(7)15-10/h1-6H,(H3,12,13,14) |
| InChI Key | ZXWKOPOBPGFCQA-UHFFFAOYSA-N |
| MDL Number | MFCD09934965 |
| Molecular Formula | C11H9N3O |
| Molecular Weight | 199.2087 |
| SMILES | NC1NN=C(C2OC3=C(C=CC=C3)C=2)C=1 |
| Synonyms | 3-(1-benzofuran-2-yl)-1H-pyrazol-5-amine,
1107061-06-2,
AC1Q51IF,
CTK7D5155,
CTK8F4560,
ZINC19442120,
AKOS000178486,
MCULE-1781360380,
NE53246,
EN300-49577,
Z607822528,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.213g/mol |
| Monoisotopic Mass | 199.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number