| CAS Number | 1152910-50-3 |
| Catalog Number | AG01A3IM |
| Chemical Name | 1-benzyl-3-tert-butyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-benzyl-3-tert-butylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C15H18N2O/c1-15(2,3)14-13(11-18)10-17(16-14)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3 |
| InChI Key | MRWUYDPRAUBXJQ-UHFFFAOYSA-N |
| MDL Number | MFCD11539860 |
| Molecular Formula | C15H18N2O |
| Molecular Weight | 242.3162 |
| SMILES | CC(C1C(C=O)=CN(CC2=CC=CC=C2)N=1)(C)C |
| Synonyms | 1-benzyl-3-tert-butyl-1H-pyrazole-4-carbaldehyde,
1152910-50-3,
ZINC37311436,
NE27127,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.322g/mol |
| Monoisotopic Mass | 242.142g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number