| CAS Number | 879487-87-3 |
| Catalog Number | AG00GUBH(AGN-PC-0VHUHV) |
| Chemical Name | R-268712 |
| IUPAC Name | 2-[4-[2-fluoro-5-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]phenyl]pyrazol-1-yl]ethanol |
| InChI | InChI=1S/C20H18FN5O/c1-13-3-2-4-19(24-13)20-17(11-22-25-20)14-5-6-18(21)16(9-14)15-10-23-26(12-15)7-8-27/h2-6,9-12,27H,7-8H2,1H3,(H,22,25) |
| InChI Key | JQGOCCALXFSRHZ-UHFFFAOYSA-N |
| MDL Number | MFCD28963939 |
| Molecular Formula | C20H18FN5O |
| Molecular Weight | 363.3882 |
| SMILES | Cc1cccc(n1)c2c(c[nH]n2)c3ccc(c(c3)c4cnn(c4)CCO)F |
| Synonyms | 2-(4-(2-fluoro-5-(3-(6-methylpyridine-2-yl)-1H-pyrazol-4-yl)phenyl)pyrazol-1-yl)ethanol,
R-268712,
R-268712,
879487-87-3,
R268712,
SCHEMBL5198271,
BCP25191,
ZINC38279005,
AKOS025142077,
CS-5618,
NCGC00387472-01,
HY-12953,
R 268712,
4-[2-Fluoro-5-[3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1H-pyrazole-1-ethanol,
CID11703284,
A16207,
2-[4-[2-fluoro-5-[3-(6-methylpyridin-2-yl)-2H-pyrazol-4-yl]phenyl]pyrazol-1-yl]ethanol,
|
| Complexity | 483 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.396g/mol |
| Monoisotopic Mass | 363.15g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number