| CAS Number | 926261-82-7 |
| Catalog Number | AG019M7D |
| Chemical Name | 1-(4-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C14H14N2O2/c1-9-5-7-10(8-6-9)16-12-4-2-3-11(12)13(15-16)14(17)18/h5-8H,2-4H2,1H3,(H,17,18) |
| InChI Key | BPFQULCHXXUGSS-UHFFFAOYSA-N |
| MDL Number | MFCD09050458 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.2732 |
| SMILES | CC1=CC=C(N2C3=C(CCC3)C(C(O)=O)=N2)C=C1 |
| Synonyms | 1-(4-methylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid,
926261-82-7,
1-(4-methylphenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid,
AC1Q2LCB,
CTK6B8606,
ZINC11802322,
AKOS000134007,
MCULE-1603155719,
NE34041,
EN300-35215,
Z367451272,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.278g/mol |
| Monoisotopic Mass | 242.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number