| CAS Number | 318247-69-7 |
| Catalog Number | AG00IQ1T(AGN-PC-0WATR5) |
| Chemical Name | (1-Methyl-3-phenyl-5-{[3-(trifluoromethyl) phenyl]sulfanyl}-1H-pyrazol-4-yl)methanol |
| IUPAC Name | [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol |
| InChI | InChI=1S/C18H15F3N2OS/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 | AWHHXKDKURXYOF-UHFFFAOYSA-N |
| MDL Number | MFCD00244951 |
| Molecular Formula | C18H15F3N2OS |
| Molecular Weight | 364.3847 |
| SMILES | S(C1(=CC(=CC=C1)C(F)(F)F))C=2(N(N=C(C=2CO)C3(=CC=CC=C3))C) |
| Synonyms | (1-METHYL-3-PHENYL-5-{[3-(TRIFLUOROMETHYL)PHENYL]SULFANYL}-1H-PYRAZOL-4-YL)METHANOL,
318247-69-7,
Bionet1_001781,
AC1LRS16,
CTK8A2384,
HMS573F03,
KS-00001WKJ,
ZINC1388788,
ZX-AP006228,
MFCD00244951,
PC9439,
AKOS005089973,
4K-369S,
MCULE-5979026636,
(1-methyl-3-phenyl-5-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrazol-4-yl)methanol,
[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]sulfanylpyrazol-4-yl]methanol,
ZINC01388788,
CID1476565,
|
| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.386g/mol |
| Monoisotopic Mass | 364.086g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number