| CAS Number | 518357-38-5 |
| Catalog Number | AG00DD4K(AGN-PC-03RWIJ) |
| Chemical Name | 3-Ethyl-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 5-ethyl-1H-pyrazole-3-carbaldehyde |
| InChI | InChI=1S/C6H8N2O/c1-2-5-3-6(4-9)8-7-5/h3-4H,2H2,1H3,(H,7,8) |
| InChI Key | YJDHAJGVDHPKGV-UHFFFAOYSA-N |
| MDL Number | MFCD10697813 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | N1=C(CC)C=C(C=O)N1 |
| Synonyms | 3-ETHYL-1H-PYRAZOLE-5-CARBALDEHYDE,
518357-38-5,
5-Ethyl-1H-pyrazole-3-carbaldehyde,
SCHEMBL4916584,
SCHEMBL13373553,
CTK8I9823,
YJDHAJGVDHPKGV-UHFFFAOYSA-N,
5334AH,
MFCD10697813,
ZINC49584990,
5-ethyl-2H-pyrazole-3-carboxaldehyde,
AKOS006305574,
AB60562,
AJ-111230,
Y-8321,
F2167-2353,
C6H8N2O,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.143g/mol |
| Monoisotopic Mass | 124.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number