| CAS Number | 956779-12-7 |
| Catalog Number | AG00IJC5 |
| Chemical Name | 1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C17H13FN2O2/c1-11-2-4-12(5-3-11)16-15(17(21)22)10-20(19-16)14-8-6-13(18)7-9-14/h2-10H,1H3,(H,21,22) |
| InChI Key | SLCBEWVMMQNFTN-UHFFFAOYSA-N |
| MDL Number | MFCD06357437 |
| Molecular Formula | C17H13FN2O2 |
| Molecular Weight | 296.2957 |
| SMILES | CC1=CC=C(C2C(C(O)=O)=CN(C3=CC=C(F)C=C3)N=2)C=C1 |
| Synonyms | 1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid,
956779-12-7,
AC1MNAZN,
AC1Q2K77,
SCHEMBL16974093,
CTK6B8198,
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylic Acid,
ZINC3888032,
MFCD06357437,
AKOS001083253,
MCULE-3561002270,
NE31521,
EN300-10102,
Z56347163,
CID3300960,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.301g/mol |
| Monoisotopic Mass | 296.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number