| CAS Number | 1134898-77-3 |
| Catalog Number | AG019ERQ(AGN-PC-0WG486) |
| Chemical Name | 6-(3,5-Dimethyl-1H-pyrazol-1-yl)nicotinonitrile |
| IUPAC Name | 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C11H10N4/c1-8-5-9(2)15(14-8)11-4-3-10(6-12)7-13-11/h3-5,7H,1-2H3 |
| InChI Key | MBJJWNHECDGGHT-UHFFFAOYSA-N |
| MDL Number | MFCD09948772 |
| Molecular Formula | C11H10N4 |
| Molecular Weight | 198.2239 |
| SMILES | CC1=NN(C2=NC=C(C#N)C=C2)C(C)=C1 |
| Synonyms | 1134898-77-3,
6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile,
6-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)PYRIDINE-3-CARBONITRILE,
6-(3,5-Dimethyl-1H-pyrazol-1-yl)nicotinonitrile,
SCHEMBL18789253,
MFCD09948772,
ZINC19515242,
AKOS000192112,
CS-0036873,
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| 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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Certificate of Analysis
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