| CAS Number | 1612148-85-2 |
| Catalog Number | AG01DFK8 |
| Chemical Name | 5-(2,6-Dimethoxyphenyl)-1-(4-fluorophenyl)-1h-pyrazole-3-carboxylic acid |
| IUPAC Name | 5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C18H15FN2O4/c1-24-15-4-3-5-16(25-2)17(15)14-10-13(18(22)23)20-21(14)12-8-6-11(19)7-9-12/h3-10H,1-2H3,(H,22,23) |
| InChI Key | YXZZFYTZKLINTK-UHFFFAOYSA-N |
| MDL Number | MFCD30471982 |
| Molecular Formula | C18H15FN2O4 |
| Molecular Weight | 342.3211 |
| SMILES | COc1cccc(c1c1cc(nn1c1ccc(cc1)F)C(=O)O)OC |
| Synonyms | 5-(2,6-Dimethoxyphenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid,
1612148-85-2,
SCHEMBL17114563,
MFCD30471982,
AKOS030628083,
ZINC498045696,
|
| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.326g/mol |
| Monoisotopic Mass | 342.102g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number