| CAS Number | 1135324-06-9 |
| Catalog Number | AG008UD7 |
| Chemical Name | 5-Ethyl-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C11H11N3O2/c1-2-9-8(11(15)16)7-13-14(9)10-5-3-4-6-12-10/h3-7H,2H2,1H3,(H,15,16) |
| InChI Key | YGUYAMAJYZDTGO-UHFFFAOYSA-N |
| MDL Number | MFCD09260313 |
| Molecular Formula | C11H11N3O2 |
| Molecular Weight | 217.2239 |
| SMILES | CCC1N(C2=NC=CC=C2)N=CC=1C(O)=O |
| Synonyms | 5-ethyl-1-pyridin-2-yl-1H-pyrazole-4-carboxylic acid,
1135324-06-9,
5-ethyl-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid,
AC1Q2SUQ,
SCHEMBL20378234,
CTK6D0802,
ZINC12481537,
AKOS009186815,
MCULE-3097241847,
NE14235,
EN300-35829,
Z367452452,
5-Ethyl-1-pyridin-2-yl-1H-pyrazole-4-carboxylic acid, AldrichCPR,
5-Ethyl-1-pyridin-2-yl-1H-pyrazole-4-carboxylicacid,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.228g/mol |
| Monoisotopic Mass | 217.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number