| CAS Number | 1250444-39-3 |
| Catalog Number | AG00HHVX(AGN-PC-0WR2QE) |
| Chemical Name | 2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine |
| IUPAC Name | 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine |
| InChI | InChI=1S/C12H12FN3/c13-10-3-1-9(2-4-10)12-7-11-8-14-5-6-16(11)15-12/h1-4,7,14H,5-6,8H2 |
| InChI Key | NMOIOASRYKZXLK-UHFFFAOYSA-N |
| MDL Number | MFCD16987663 |
| Molecular Formula | C12H12FN3 |
| Molecular Weight | 217.2422 |
| SMILES | FC1=CC=C(C=C1)C1=NN2C(CNCC2)=C1 |
| Synonyms | 2-(4-FLUOROPHENYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE,
1250444-39-3,
SCHEMBL16700558,
NMOIOASRYKZXLK-UHFFFAOYSA-N,
MFCD16987663,
AKOS023440216,
2-(4-Fluoro-phenyl)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.247g/mol |
| Monoisotopic Mass | 217.102g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number