| CAS Number | 1258651-44-3 |
| Catalog Number | AG019RKP(AGN-PC-0WO0DR) |
| Chemical Name | 2-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)acetic acid |
| IUPAC Name | 2-(3,5-diethyl-1-methylpyrazol-4-yl)acetic acid |
| InChI | InChI=1S/C10H16N2O2/c1-4-8-7(6-10(13)14)9(5-2)12(3)11-8/h4-6H2,1-3H3,(H,13,14) |
| InChI Key | DPSWMHYHINOADQ-UHFFFAOYSA-N |
| MDL Number | MFCD17977234 |
| Molecular Formula | C10H16N2O2 |
| Molecular Weight | 196.2462 |
| SMILES | CCC1C(CC(O)=O)=C(CC)N(C)N=1 |
| Synonyms | 2-(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)acetic acid,
1258651-44-3,
AC1Q2U6U,
ZINC57219268,
AKOS017381718,
MCULE-7252666308,
NE29624,
EN300-89894,
Z1147474023,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.25g/mol |
| Monoisotopic Mass | 196.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number