| CAS Number | 1808714-73-9 |
| Catalog Number | AG01DZ14 |
| Chemical Name | N-[4-Fluoro-3-[(1-oxo-2-propen-1-yl)amino]phenyl]-1-(2-fluorophenyl)-1H-pyrazole-4-carboxamide |
| IUPAC Name | 1-(2-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide |
| InChI | InChI=1S/C19H14F2N4O2/c1-2-18(26)24-16-9-13(7-8-14(16)20)23-19(27)12-10-22-25(11-12)17-6-4-3-5-15(17)21/h2-11H,1H2,(H,23,27)(H,24,26) |
| InChI Key | SUSXQEYPNDORDQ-UHFFFAOYSA-N |
| MDL Number | MFCD31665468 |
| Molecular Formula | C19H14F2N4O2 |
| Molecular Weight | 368.3369 |
| SMILES | O=C(C=C)NC1=CC(=CC=C1F)NC(=O)C=2C=NN(C2)C=3C=CC=CC3F |
| Synonyms | N-[4-fluoro-3-(prop-2-enamido)phenyl]-1-(2-fluorophenyl)-1H-pyrazole-4-carboxamide,
1808714-73-9,
ZINC136554259,
Z1410267069,
|
| Complexity | 562 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.344g/mol |
| Monoisotopic Mass | 368.108g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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