| CAS Number | 630107-81-2 |
| Catalog Number | AG01DLW1(AGN-PC-0NHYBE) |
| Chemical Name | 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxamide |
| IUPAC Name | 5-amino-1-(2-fluorophenyl)pyrazole-4-carboxamide |
| InChI | InChI=1S/C10H9FN4O/c11-7-3-1-2-4-8(7)15-9(12)6(5-14-15)10(13)16/h1-5H,12H2,(H2,13,16) |
| InChI Key | QCEQWOVPHLZKMC-UHFFFAOYSA-N |
| MDL Number | MFCD11054263 |
| Molecular Formula | C10H9FN4O |
| Molecular Weight | 220.2031 |
| SMILES | NC(C1=C(N)N(C2=C(F)C=CC=C2)N=C1)=O |
| Synonyms | 5-amino-1-(2-fluorophenyl)-1h-pyrazole-4-carboxamide,
630107-81-2,
SCHEMBL1691549,
MFCD11054263,
ZINC38878411,
AKOS017561288,
AS-43068,
Z2805899905,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.207g/mol |
| Monoisotopic Mass | 220.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number