| CAS Number | 1188304-92-8 |
| Catalog Number | AG01BEDH |
| Chemical Name | 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-5-amine |
| IUPAC Name | 4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanyl-1H-pyrazol-5-amine |
| InChI | InChI=1S/C13H13N5OS/c1-7-3-5-8(6-4-7)11-15-12(19-18-11)9-10(14)16-17-13(9)20-2/h3-6H,1-2H3,(H3,14,16,17) |
| InChI Key | RAQXAVZEXNUYFD-UHFFFAOYSA-N |
| MDL Number | MFCD26962828 |
| Molecular Formula | C13H13N5OS |
| Molecular Weight | 287.3402 |
| SMILES | CSC1C(C2ON=C(C3=CC=C(C)C=C3)N=2)=C(N)NN=1 |
| Synonyms | 1188304-92-8,
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-5-amine,
ZINC46847176,
AKOS004914286,
MCULE-7017060345,
F6548-0317,
Z1881599295,
3-(methylthio)-4-(3-(p-tolyl)-1,2,4-oxadiazol-5-yl)-1H-pyrazol-5-amine,
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylthio)-1H-pyrazol-5-amine,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.341g/mol |
| Monoisotopic Mass | 287.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number