| CAS Number | 17072-38-7 |
| Catalog Number | AG00B5U9(AGN-PC-00K5BE) |
| Chemical Name | 4-Ethyl-1H-pyrazole |
| IUPAC Name | 4-ethyl-1H-pyrazole |
| InChI | InChI=1S/C5H8N2/c1-2-5-3-6-7-4-5/h3-4H,2H2,1H3,(H,6,7) |
| InChI Key | IHNXHUNMFYXQCG-UHFFFAOYSA-N |
| MDL Number | MFCD18449289 |
| Molecular Formula | C5H8N2 |
| Molecular Weight | 96.1304 |
| SMILES | CCC1=CNN=C1 |
| Synonyms | 4-ethyl-1H-pyrazole,
17072-38-7,
1H-Pyrazole, 4-ethyl-,
4-ethylpyrazole,
DTXSID00513322,
IHNXHUNMFYXQCG-UHFFFAOYSA-N,
4-Ethyl-1H-pyrazole, AldrichCPR,
ALBB-017829,
5501AD,
MFCD18449289,
ZINC39343114,
AKOS006282291,
AM803320,
Y-7957,
Pyrazole, 4-ethyl-,
C5H8N2,
|
| Complexity | 54 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 96.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 96.133g/mol |
| Monoisotopic Mass | 96.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number