| CAS Number | 1003454-48-5 |
| Catalog Number | AG019LJ6 |
| Chemical Name | 5-ethyl-1-(3-methylphenyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-ethyl-1-(3-methylphenyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C13H14N2O2/c1-3-12-11(13(16)17)8-14-15(12)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H,16,17) |
| InChI Key | ASOKVIGFUSGAKD-UHFFFAOYSA-N |
| MDL Number | MFCD09971487 |
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.2625 |
| SMILES | CCC1N(C2=CC(C)=CC=C2)N=CC=1C(O)=O |
| Synonyms | 5-ethyl-1-(3-methylphenyl)-1H-pyrazole-4-carboxylic acid,
1003454-48-5,
AC1OZF9O,
AC1Q2SUI,
5-ethyl-1-(3-methylphenyl)pyrazole-4-carboxylic Acid,
CTK6D0800,
ZINC6773980,
AKOS009171551,
MCULE-5758141562,
NE58344,
EN300-31426,
CID8079327,
|
| Complexity | 283 |
| 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