| CAS Number | 573982-81-7 |
| Catalog Number | AG019YM2(AGN-PC-03JK03) |
| Chemical Name | 1-Ethyl-4-ethynyl-1H-pyrazole |
| IUPAC Name | 1-ethyl-4-ethynylpyrazole |
| InChI | InChI=1S/C7H8N2/c1-3-7-5-8-9(4-2)6-7/h1,5-6H,4H2,2H3 |
| InChI Key | GRNLVMIFGKUZFL-UHFFFAOYSA-N |
| MDL Number | MFCD17281919 |
| Molecular Formula | C7H8N2 |
| Molecular Weight | 120.1518 |
| SMILES | C#CC1=CN(CC)N=C1 |
| Synonyms | 1-ethyl-4-ethynyl-1H-pyrazole,
573982-81-7,
1-ethyl-4-ethynyl-1{H}-pyrazole,
SCHEMBL4612485,
MFCD17281919,
ZINC62605365,
AKOS012332559,
MCULE-6234151598,
NE33185,
F2147-6879,
Z1357774569,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.155g/mol |
| Monoisotopic Mass | 120.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number