| CAS Number | 1338692-17-3 |
| Catalog Number | AG009HWR(AGN-PC-0WAYED) |
| Chemical Name | 2-(4-Fluorophenyl)pyrazolo[1,5-a]pyrazin-4(5H)-one |
| IUPAC Name | 2-(4-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one |
| InChI | InChI=1S/C12H8FN3O/c13-9-3-1-8(2-4-9)10-7-11-12(17)14-5-6-16(11)15-10/h1-7H,(H,14,17) |
| InChI Key | FTKOTDDNGYIJKP-UHFFFAOYSA-N |
| MDL Number | MFCD11045716 |
| Molecular Formula | C12H8FN3O |
| Molecular Weight | 229.2098 |
| SMILES | FC3(=CC=C(C1(=NN2(C=CNC(C2(=C1))=O)))C=C3) |
| Synonyms | 2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4(5H)-one,
1338692-17-3,
BBL019536,
HTS001023,
MFCD11045716,
STL190725,
ZINC70459040,
AKOS021723605,
BS-3078,
MCULE-2985678197,
PC200468,
H2241,
KS-00002351,
F6548-0128,
2-(4-fluorophenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one,
C12H8FN3O,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.214g/mol |
| Monoisotopic Mass | 229.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number