| CAS Number | 36640-53-6 |
| Catalog Number | AG00I79D(AGN-PC-0JXIOU) |
| Chemical Name | 3-(2-Naphthyl)-1-phenyl-1h-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-naphthalen-2-yl-1-phenylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C20H14N2O/c23-14-18-13-22(19-8-2-1-3-9-19)21-20(18)17-11-10-15-6-4-5-7-16(15)12-17/h1-14H |
| InChI Key | DUTZVTXRCLAHHF-UHFFFAOYSA-N |
| MDL Number | MFCD02918303 |
| Molecular Formula | C20H14N2O |
| Molecular Weight | 298.3380 |
| SMILES | O=CC1=CN(C2=CC=CC=C2)N=C1C3=CC=C4C=CC=CC4=C3 |
| Synonyms | 36640-53-6,
3-(naphthalen-2-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde,
3-(2-naphthyl)-1-phenylpyrazole-4-carbaldehyde,
3-naphthalen-2-yl-1-phenylpyrazole-4-carbaldehyde,
3-(2-naphthyl)-1-phenyl-1H-pyrazole-4-carbaldehyde,
AC1LH5UN,
SCHEMBL11244220,
ZINC453197,
MFCD02918303,
SBB076110,
AKOS005079206,
MCULE-2716754415,
KS-00000U90,
AK683728,
SY128941,
4-formyl-3-(2-naphthyl)-1-phenylpyrazole,
MFCD02918303 (95%),
11T-0263,
CID882226,
ZINC00453197,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.345g/mol |
| Monoisotopic Mass | 298.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number