| CAS Number | 926204-51-5 |
| Catalog Number | AG01AGL0 |
| Chemical Name | 1-(4-ethylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid |
| IUPAC Name | 1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)17-13-5-3-4-12(13)14(16-17)15(18)19/h6-9H,2-5H2,1H3,(H,18,19) |
| InChI Key | KLAZVKFCHQJCHS-UHFFFAOYSA-N |
| MDL Number | MFCD09044876 |
| Molecular Formula | C15H16N2O2 |
| Molecular Weight | 256.2997 |
| SMILES | CCC1=CC=C(N2C3=C(CCC3)C(C(O)=O)=N2)C=C1 |
| Synonyms | 1-(4-ethylphenyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxylic acid,
926204-51-5,
AC1Q2TI7,
CTK6D1559,
ZINC11802340,
AKOS000129107,
MCULE-1472332935,
NE18794,
EN300-72171,
Z1259273317,
1-(4-ETHYLPHENYL)-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 | 256.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.305g/mol |
| Monoisotopic Mass | 256.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number