| CAS Number | 1338651-03-8 |
| Catalog Number | AG00HT28(AGN-PC-0WAYEF) |
| Chemical Name | 2-(3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4(5H)-one |
| IUPAC Name | 2-(3-fluorophenyl)-5H-pyrazolo[1,5-a]pyrazin-4-one |
| InChI | InChI=1S/C12H8FN3O/c13-9-3-1-2-8(6-9)10-7-11-12(17)14-4-5-16(11)15-10/h1-7H,(H,14,17) |
| InChI Key | URRNZHZBDJJREY-UHFFFAOYSA-N |
| MDL Number | MFCD25951877 |
| Molecular Formula | C12H8FN3O |
| Molecular Weight | 229.2098 |
| SMILES | FC3(=CC(C1(=NN2(C=CNC(C2(=C1))=O)))=CC=C3) |
| Synonyms | 2-(3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4(5H)-one,
1338651-03-8,
HTS001025,
MFCD25951877,
ZINC70459047,
AKOS026674526,
AKOS026706774,
BS-3080,
PC200469,
KS-00002353,
2-(3-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-ol,
F1907-1177,
2-(3-fluorophenyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one,
C12H8FN3O,
|
| Complexity | 347 |
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number