| CAS Number | 2148334-10-3 |
| Catalog Number | AG01EFNU |
| Chemical Name | 5-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-7-carbonitrile |
| IUPAC Name | 5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carbonitrile |
| InChI | InChI=1S/C14H14N4/c15-8-14-11-17(9-12-4-2-1-3-5-12)10-13-6-7-16-18(13)14/h1-7,14H,9-11H2 |
| InChI Key | QNHMVYBMAAMABE-UHFFFAOYSA-N |
| MDL Number | MFCD31567611 |
| Molecular Formula | C14H14N4 |
| Molecular Weight | 238.2878 |
| SMILES | N#CC1CN(Cc2ccccc2)Cc2ccnn12 |
| Synonyms | 5-Benzyl-4,5,6,7-Tetrahydropyrazolo[1,5-A]Pyrazine-7-Carbonitrile,
CS-0039749,
Pyrazolo[1,5-a]pyrazine-7-carbonitrile, 4,5,6,7-tetrahydro-5-(phenylmethyl)-,
2148334-10-3,
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| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.294g/mol |
| Monoisotopic Mass | 238.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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