| CAS Number | 1002185-78-5 |
| Catalog Number | AG008UD6 |
| Chemical Name | 5-ethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C13H14N2O2/c1-3-12-11(13(16)17)8-14-15(12)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,16,17) |
| InChI Key | KQONHMSVIICDKY-UHFFFAOYSA-N |
| MDL Number | MFCD09971486 |
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.2625 |
| SMILES | CCC1N(C2=CC=C(C)C=C2)N=CC=1C(O)=O |
| Synonyms | 5-ethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid,
1002185-78-5,
AC1OZE8L,
AC1Q2SUL,
5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxylic Acid,
CTK6D0795,
ZINC6773588,
AKOS009171550,
MCULE-3680299878,
NE60568,
EN300-31424,
5-Ethyl-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid, AldrichCPR,
CID8078880,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.267g/mol |
| Monoisotopic Mass | 230.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number