| CAS Number | 1039900-17-8 |
| Catalog Number | AG01ABJH |
| Chemical Name | 1-(2-fluoro-4-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C14H13FN2O2/c1-8-5-6-12(10(15)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 | JVVJFPDQLRMQET-UHFFFAOYSA-N |
| MDL Number | MFCD12559985 |
| Molecular Formula | C14H13FN2O2 |
| Molecular Weight | 260.2636 |
| SMILES | CC1=CC(F)=C(N2C3=C(CCC3)C(C(O)=O)=N2)C=C1 |
| Synonyms | 1-(2-fluoro-4-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid,
1039900-17-8,
AC1Q2IQK,
ZINC20475911,
AKOS009261231,
MCULE-5370045874,
NE17588,
EN300-71846,
Z1259273335,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.268g/mol |
| Monoisotopic Mass | 260.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number