| CAS Number | 956783-07-6 |
| Catalog Number | AG019NT2 |
| Chemical Name | 1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-benzyl-3-(4-methylphenyl)pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C18H16N2O/c1-14-7-9-16(10-8-14)18-17(13-21)12-20(19-18)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3 |
| InChI Key | DXDSVGUXUANIKU-UHFFFAOYSA-N |
| MDL Number | MFCD03422379 |
| Molecular Formula | C18H16N2O |
| Molecular Weight | 276.3324 |
| SMILES | CC1=CC=C(C2C(C=O)=CN(CC3=CC=CC=C3)N=2)C=C1 |
| Synonyms | 1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde,
956783-07-6,
AC1Q2K7M,
MLS000335774,
AC1M143O,
CHEMBL1323360,
CTK7I0323,
HMS2515O12,
HMS3375M09,
ZINC2558265,
AKOS000308611,
MCULE-8414039597,
NE33728,
SMR000253528,
EN300-11718,
AB00560901-02,
1-benzyl-3-(4-methylphenyl)pyrazole-4-carbaldehyde,
ZINC02558265,
CID2063316,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.339g/mol |
| Monoisotopic Mass | 276.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number