| CAS Number | 123345-71-1 |
| Catalog Number | AG019KYF(AGN-PC-0PHCID) |
| Chemical Name | ethyl 1-(4-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate |
| IUPAC Name | ethyl 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate |
| InChI | InChI=1S/C15H15FN2O2/c1-2-20-15(19)14-12-4-3-5-13(12)18(17-14)11-8-6-10(16)7-9-11/h6-9H,2-5H2,1H3 |
| InChI Key | VDTGPKSNSIDZEO-UHFFFAOYSA-N |
| MDL Number | MFCD08858063 |
| Molecular Formula | C15H15FN2O2 |
| Molecular Weight | 274.2902 |
| SMILES | O=C(C1=NN(C2=CC=C(F)C=C2)C3=C1CCC3)OCC |
| Synonyms | ethyl 1-(4-fluorophenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylate,
123345-71-1,
EN300-29005,
AB00758045-01,
Z220356488,
ethyl 1-(4-fluorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate,
AC1Q34F9,
SCHEMBL10479545,
CTK6F7622,
ZINC9517179,
AKOS023166264,
MCULE-3724494624,
NE27760,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.295g/mol |
| Monoisotopic Mass | 274.112g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number