| CAS Number | 956513-35-2 |
| Catalog Number | AG019NQV |
| Chemical Name | 1-benzyl-3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-benzyl-3-(4-ethylphenyl)pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C19H18N2O/c1-2-15-8-10-17(11-9-15)19-18(14-22)13-21(20-19)12-16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3 |
| InChI Key | RRDFHGPQEZKYNR-UHFFFAOYSA-N |
| MDL Number | MFCD06368758 |
| Molecular Formula | C19H18N2O |
| Molecular Weight | 290.3590 |
| SMILES | CCC1=CC=C(C2C(C=O)=CN(CC3=CC=CC=C3)N=2)C=C1 |
| Synonyms | 1-benzyl-3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde,
956513-35-2,
AC1Q2TGK,
AC1M7Q1G,
MLS000770224,
CHEMBL1432357,
CTK7I0330,
HMS2635C16,
HMS3364G06,
ZINC3330555,
AKOS001122260,
MCULE-7526395528,
NE26913,
SMR000375621,
EN300-11537,
1-benzyl-3-(4-ethylphenyl)pyrazole-4-carbaldehyde,
ZINC03330555,
CID2446579,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.366g/mol |
| Monoisotopic Mass | 290.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number