| CAS Number | 1553118-89-0 |
| Catalog Number | AG01C311 |
| Chemical Name | 5-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-2-carbonitrile |
| IUPAC Name | 5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile |
| InChI | InChI=1S/C11H10N4/c1-8-5-9(2)15(14-8)11-4-3-10(6-12)13-7-11/h3-5,7H,1-2H3 |
| InChI Key | XBQMOWKHEZYWQE-UHFFFAOYSA-N |
| MDL Number | MFCD25705983 |
| Molecular Formula | C11H10N4 |
| Molecular Weight | 198.2239 |
| SMILES | CC1=NN(C2=CN=C(C#N)C=C2)C(C)=C1 |
| Synonyms | 5-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-2-carbonitrile,
1553118-89-0,
AKOS033883588,
ZINC129263090,
EN300-253787,
Z2379087743,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.229g/mol |
| Monoisotopic Mass | 198.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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