| CAS Number | 19762-15-3 |
| Catalog Number | AG002AX9(AGN-PC-0NIUHV) |
| Chemical Name | 5-ethynyl-1-methyl-1H-pyrazole |
| IUPAC Name | 5-ethynyl-1-methylpyrazole |
| InChI | InChI=1S/C6H6N2/c1-3-6-4-5-7-8(6)2/h1,4-5H,2H3 |
| InChI Key | GRYDLSPDPNGPBB-UHFFFAOYSA-N |
| MDL Number | MFCD19620898 |
| Molecular Formula | C6H6N2 |
| Molecular Weight | 106.1252 |
| SMILES | CN1C(C#C)=CC=N1 |
| Synonyms | 5-ethynyl-1-methyl-1H-pyrazole,
19762-15-3,
1H-Pyrazole, 5-ethynyl-1-methyl-,
SCHEMBL16630488,
CTK0A0289,
DTXSID60495630,
MFCD19620898,
ZINC69021541,
AKOS013277736,
MCULE-3200365770,
NE16516,
Z1742056072,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 106.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 106.128g/mol |
| Monoisotopic Mass | 106.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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