| CAS Number | 318247-68-6 |
| Catalog Number | AG00ITWD(AGN-PC-0WATR4) |
| Chemical Name | {1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methanol |
| IUPAC Name | [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol |
| InChI | InChI=1S/C18H15F3N2O2/c1-23-17(25-14-9-5-8-13(10-14)18(19,20)21)15(11-24)16(22-23)12-6-3-2-4-7-12/h2-10,24H,11H2,1H3 |
| InChI Key | BDYYSWLLJJAPKD-UHFFFAOYSA-N |
| MDL Number | MFCD00244950 |
| Molecular Formula | C18H15F3N2O2 |
| Molecular Weight | 348.3191 |
| SMILES | FC(F)(F)C3(=CC(OC=1(N(N=C(C=1CO)C2(=CC=CC=C2))C))=CC=C3) |
| Synonyms | {1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methanol,
318247-68-6,
AC1LRS13,
MLS000720805,
CHEMBL1301609,
KS-00001WKI,
HMS2625C19,
ZINC1388787,
AKOS005089972,
4K-368S,
MCULE-4451187932,
SMR000334156,
[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol,
ZINC01388787,
CID1476564,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.325g/mol |
| Monoisotopic Mass | 348.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number