| CAS Number | 23486-70-6 |
| Catalog Number | AG00BJG3(AGN-PC-0WOMNN) |
| Chemical Name | 5-Ethynyl-1H-pyrazole |
| IUPAC Name | 5-ethynyl-1H-pyrazole |
| InChI | InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7) |
| InChI Key | KUOWLAMMSCRRFS-UHFFFAOYSA-N |
| MDL Number | MFCD13189815 |
| Molecular Formula | C5H4N2 |
| Molecular Weight | 92.0987 |
| SMILES | C#CC1=CC=NN1 |
| Synonyms | 5-ETHYNYL-1H-PYRAZOLE,
23486-70-6,
pyrazolylacetylene,
3-ethynyl-1H-pyrazole,
5-ethynyl-1H-pyrazole, AldrichCPR,
ZINC79668396,
AKOS027269989,
AB69175,
MCULE-9550332434,
NE17420,
Z1868316810,
|
| Complexity | 99.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 92.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 92.101g/mol |
| Monoisotopic Mass | 92.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number