| CAS Number | 1152880-87-9 |
| Catalog Number | AG019L56 |
| Chemical Name | 5-carbamoyl-1-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 3-carbamoyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxylic acid |
| InChI | InChI=1S/C11H10FN3O3/c12-6-1-3-7(4-2-6)15-9(10(13)16)5-8(14-15)11(17)18/h1-4,9H,5H2,(H2,13,16)(H,17,18) |
| InChI Key | LHGQLTDUMDUDCU-UHFFFAOYSA-N |
| MDL Number | MFCD09863317 |
| Molecular Formula | C11H10FN3O3 |
| Molecular Weight | 251.2138 |
| SMILES | NC(C1N(C2=CC=C(F)C=C2)N=C(C(O)=O)C1)=O |
| Synonyms | 5-carbamoyl-1-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid,
1152880-87-9,
EN300-29886,
5-(aminocarbonyl)-1-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid,
AC1Q4ZH6,
CTK7D2586,
AKOS000263226,
AKOS023871717,
MCULE-2001587341,
NE14547,
Z317045458,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.217g/mol |
| Monoisotopic Mass | 251.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number