| CAS Number | 1152975-87-5 |
| Catalog Number | AG019MEM |
| Chemical Name | 5-(propan-2-yl)-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C12H13N3O2/c1-8(2)11-9(12(16)17)7-14-15(11)10-5-3-4-6-13-10/h3-8H,1-2H3,(H,16,17) |
| InChI Key | WIUFBOIAFKALFU-UHFFFAOYSA-N |
| MDL Number | MFCD09260324 |
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.2505 |
| SMILES | CC(C1N(C2=NC=CC=C2)N=CC=1C(O)=O)C |
| Synonyms | 5-(propan-2-yl)-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid,
5-isopropyl-1-pyridin-2-yl-1H-pyrazole-4-carboxylic acid,
1152975-87-5,
AC1Q1OBY,
SCHEMBL20378261,
CTK6A4494,
ZINC12955900,
AKOS009186816,
MCULE-4028593238,
NE52829,
EN300-35951,
AP-501/43363590,
Z367451012,
5-isopropyl-1-(2-pyridinyl)-1H-pyrazole-4-carboxylic acid,
5-Isopropyl-1-pyridin-2-yl-1H-pyrazole-4-carboxylic acid, AldrichCPR,
WIUFBOIAFKALFU-UHFFFAOYSA-N,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.255g/mol |
| Monoisotopic Mass | 231.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number