| CAS Number | 1260659-17-3 |
| Catalog Number | AG01AHG1(AGN-PC-0WBD99) |
| Chemical Name | 2-(1-Isopropyl-1H-pyrazol-3-yl)acetonitrile |
| IUPAC Name | 2-(1-propan-2-ylpyrazol-3-yl)acetonitrile |
| InChI | InChI=1S/C8H11N3/c1-7(2)11-6-4-8(10-11)3-5-9/h4,6-7H,3H2,1-2H3 |
| InChI Key | RZPUZBJXKADSBX-UHFFFAOYSA-N |
| MDL Number | MFCD18262432 |
| Molecular Formula | C8H11N3 |
| Molecular Weight | 149.1930 |
| SMILES | CC(N1N=C(CC#N)C=C1)C |
| Synonyms | 1260659-17-3,
(1-isopropyl-1H-pyrazol-3-yl)acetonitrile,
2-[1-(propan-2-yl)-1H-pyrazol-3-yl]acetonitrile,
2-(1-Isopropyl-1H-pyrazol-3-yl)acetonitrile,
2-[1-(methylethyl)pyrazol-3-yl]ethanenitrile,
MFCD18262432,
SBB073699,
ZINC68589980,
AKOS005169416,
MCULE-7793397715,
NE50113,
ST51061792,
EN300-74580,
|
| Complexity | 167 |
| 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 | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number