| CAS Number | 1354706-51-6 |
| Catalog Number | AG01AOOI(AGN-PC-0WBEIN) |
| Chemical Name | 4-Ethynyl-1-(propan-2-yl)-1H-pyrazole |
| IUPAC Name | 4-ethynyl-1-propan-2-ylpyrazole |
| InChI | InChI=1S/C8H10N2/c1-4-8-5-9-10(6-8)7(2)3/h1,5-7H,2-3H3 |
| InChI Key | CCQVOMOPERINAW-UHFFFAOYSA-N |
| MDL Number | MFCD24540413 |
| Molecular Formula | C8H10N2 |
| Molecular Weight | 134.1784 |
| SMILES | C(#C)C=1C=NN(C1)C(C)C |
| Synonyms | 4-ethynyl-1-(propan-2-yl)-1H-pyrazole,
1354706-51-6,
4-Ethynyl-1-isopropyl-1H-pyrazole,
MFCD24540413,
ZINC72339679,
AKOS015921191,
MCULE-5484694651,
F2147-6824,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.182g/mol |
| Monoisotopic Mass | 134.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number