| CAS Number | 1119459-44-7 |
| Catalog Number | AG019V09(AGN-PC-0WO62G) |
| Chemical Name | 1-tert-butyl-5-ethyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-tert-butyl-5-ethylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H16N2O2/c1-5-8-7(9(13)14)6-11-12(8)10(2,3)4/h6H,5H2,1-4H3,(H,13,14) |
| InChI Key | NVUFDOWITAILGS-UHFFFAOYSA-N |
| MDL Number | MFCD11858063 |
| Molecular Formula | C10H16N2O2 |
| Molecular Weight | 196.2462 |
| SMILES | CCC1N(C(C)(C)C)N=CC=1C(O)=O |
| Synonyms | 1-tert-butyl-5-ethyl-1H-pyrazole-4-carboxylic acid,
1119459-44-7,
AC1Q2SUG,
SCHEMBL3294253,
CTK6D0792,
ZINC32625214,
AKOS026728068,
MCULE-4674376072,
NE33417,
EN300-43366,
AB00998922-01,
|
| Complexity | 223 |
| 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 | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number