| CAS Number | 956360-88-6 |
| Catalog Number | AG019NT3 |
| Chemical Name | 1-benzyl-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C19H18N2O/c1-14-8-9-17(10-15(14)2)19-18(13-22)12-21(20-19)11-16-6-4-3-5-7-16/h3-10,12-13H,11H2,1-2H3 |
| InChI Key | AJCJKOJVNWOCFK-UHFFFAOYSA-N |
| MDL Number | MFCD06373494 |
| Molecular Formula | C19H18N2O |
| Molecular Weight | 290.359 |
| SMILES | CC1=C(C)C=C(C2C(C=O)=CN(CC3=CC=CC=C3)N=2)C=C1 |
| Synonyms | 1-benzyl-3-(3,4-dimethylphenyl)-1H-pyrazole-4-carbaldehyde,
956360-88-6,
AC1Q2DTL,
AC1M8D5V,
MLS000335776,
CHEMBL1510648,
CTK7I0292,
CHEBI:108327,
HMS2542B16,
ZINC3416099,
AKOS001094020,
MCULE-9072514082,
NE23248,
SMR000253530,
EN300-11719,
AB00560872-02,
1-benzyl-3-(3,4-dimethylphenyl)pyrazole-4-carbaldehyde,
ZINC03416099,
CID2535163,
|
| Complexity | 366 |
| 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 | 4 |
| 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