| CAS Number | 1038738-52-1 |
| Catalog Number | AG01C3LU |
| Chemical Name | 1-(2-fluoro-5-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C14H13FN2O2/c1-8-5-6-10(15)12(7-8)17-11-4-2-3-9(11)13(16-17)14(18)19/h5-7H,2-4H2,1H3,(H,18,19) |
| InChI Key | TWUOGMWQTGNMMB-UHFFFAOYSA-N |
| MDL Number | MFCD12469973 |
| Molecular Formula | C14H13FN2O2 |
| Molecular Weight | 260.2636 |
| SMILES | CC1=CC(N2C3=C(CCC3)C(C(O)=O)=N2)=C(F)C=C1 |
| Synonyms | 1-(2-fluoro-5-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid,
1038738-52-1,
ZINC20475921,
AKOS009261234,
Z2350907425,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.096106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.26g/mol |
| Monoisotopic Mass | 260.096106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number