| CAS Number | 138134-19-7 |
| Catalog Number | AG01ALOE(AGN-PC-0O1HOS) |
| Chemical Name | 1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 1-methyl-3-propan-2-ylpyrazole-4-carbonitrile |
| InChI | InChI=1S/C8H11N3/c1-6(2)8-7(4-9)5-11(3)10-8/h5-6H,1-3H3 |
| InChI Key | YOVWLJBMAXJDKH-UHFFFAOYSA-N |
| MDL Number | MFCD28954429 |
| Molecular Formula | C8H11N3 |
| Molecular Weight | 149.1930 |
| SMILES | CC(C1C(C#N)=CN(C)N=1)C |
| Synonyms | 138134-19-7,
1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbonitrile,
SCHEMBL19321625,
ZINC83268100,
3-isopropyl-1-methyl-4-cyanopyrazole,
AKOS022966455,
Z2199618152,
1H-Pyrazole-4-carbonitrile, 1-methyl-3-(1-methylethyl)-,
3-isopropyl-1-methyl-1H-pyrazole-4-carbonitrile,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.197g/mol |
| Monoisotopic Mass | 149.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number