| CAS Number | 79168-93-7 |
| Catalog Number | AG01BCLL(AGN-PC-0KKJ70) |
| Chemical Name | 3,5-Dimethyl-1-(propan-2-yl)-1H-pyrazole |
| IUPAC Name | 3,5-dimethyl-1-propan-2-ylpyrazole |
| InChI | InChI=1S/C8H14N2/c1-6(2)10-8(4)5-7(3)9-10/h5-6H,1-4H3 |
| InChI Key | AIUVAZQMVWSJEN-UHFFFAOYSA-N |
| MDL Number | MFCD01846244 |
| Molecular Formula | C8H14N2 |
| Molecular Weight | 138.2102 |
| SMILES | n1c(cc(n1C(C)C)C)C |
| Synonyms | 79168-93-7,
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole,
AC1MBMOK,
SCHEMBL2622408,
ZINC3848383,
3,5-dimethyl-1-propan-2-ylpyrazole,
AKOS003673734,
1-Isopropyl-3,5-dimethyl-1H-pyrazole,
1-isopropyl-3,5-dimethylpyrazole,
ZINC03848383,
CID2753140,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.214g/mol |
| Monoisotopic Mass | 138.116g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number