| CAS Number | 926240-78-0 |
| Catalog Number | AG01C3NR |
| Chemical Name | 1-(3-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C13H11FN2O2/c14-8-3-1-4-9(7-8)16-11-6-2-5-10(11)12(15-16)13(17)18/h1,3-4,7H,2,5-6H2,(H,17,18) |
| InChI Key | SKEMDXFVYOXUAB-UHFFFAOYSA-N |
| MDL Number | MFCD09045586 |
| Molecular Formula | C13H11FN2O2 |
| Molecular Weight | 246.237 |
| SMILES | OC(C1C2=C(CCC2)N(C2=CC(F)=CC=C2)N=1)=O |
| Synonyms | 1-(3-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid,
926240-78-0,
CTK7C1974,
ZINC21962431,
AKOS000129807,
Z2350907399,
1-(3-FLUOROPHENYL)-1,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE-3-CARBOXYLIC ACID,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.241g/mol |
| Monoisotopic Mass | 246.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number