| CAS Number | 27258-03-3 |
| Catalog Number | AG01ABCY |
| Chemical Name | 3,4,5-trimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole |
| IUPAC Name | 3,4,5-trimethyl-1-prop-2-ynylpyrazole |
| InChI | InChI=1S/C9H12N2/c1-5-6-11-9(4)7(2)8(3)10-11/h1H,6H2,2-4H3 |
| InChI Key | WJNCFXQQBCOBRY-UHFFFAOYSA-N |
| MDL Number | MFCD14638464 |
| Molecular Formula | C9H12N2 |
| Molecular Weight | 148.2050 |
| SMILES | CC1C(C)=C(C)N(CC#C)N=1 |
| Synonyms | 3,4,5-trimethyl-1-(prop-2-yn-1-yl)-1H-pyrazole,
27258-03-3,
SCHEMBL15148334,
ZINC42012044,
AKOS008146277,
MCULE-8597396903,
NE36549,
EN300-71261,
AC1Q2PSV,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.100048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.2g/mol |
| Monoisotopic Mass | 148.100048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number