| CAS Number | 618442-06-1 |
| Catalog Number | AG003CSW(AGN-PC-0LNYLL) |
| Chemical Name | 1-(2,4-Dimethylphenyl)-3,5-diphenyl-1H-pyrazole |
| IUPAC Name | 1-(2,4-dimethylphenyl)-3,5-diphenylpyrazole |
| InChI | InChI=1S/C23H20N2/c1-17-13-14-22(18(2)15-17)25-23(20-11-7-4-8-12-20)16-21(24-25)19-9-5-3-6-10-19/h3-16H,1-2H3 |
| InChI Key | CRAFVFBHLRLVMP-UHFFFAOYSA-N |
| MDL Number | MFCD05155059 |
| Molecular Formula | C23H20N2 |
| Molecular Weight | 324.4183 |
| SMILES | CC1=CC=C(N2N=C(C3=CC=CC=C3)C=C2C4=CC=CC=C4)C(C)=C1 |
| Synonyms | 1-(2,4-DIMETHYLPHENYL)-3,5-DIPHENYL-1H-PYRAZOLE,
618442-06-1,
Salor-int l447617-1ea,
AC1NPERD,
ZINC2544834,
MFCD05155059,
AKOS024416382,
MCULE-8399448430,
KS-0000004W,
1-(2,4-dimethylphenyl)-3,5-diphenylpyrazole,
CID5177862,
1-(2,4-dimethylphenyl)-3,5-diphenyl-pyrazole,
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| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.427g/mol |
| Monoisotopic Mass | 324.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
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Certificate of Analysis
Lot Number