| CAS Number | 1135324-04-7 |
| Catalog Number | AG019MB6 |
| Chemical Name | 5-Isopropyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1h-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-propan-2-yl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C13H12F3N3O2/c1-7(2)11-9(12(20)21)6-18-19(11)10-4-3-8(5-17-10)13(14,15)16/h3-7H,1-2H3,(H,20,21) |
| InChI Key | ISKOPZKUFDFACS-UHFFFAOYSA-N |
| MDL Number | MFCD10686729 |
| Molecular Formula | C13H12F3N3O2 |
| Molecular Weight | 299.2485 |
| SMILES | CC(C1N(C2=NC=C(C(F)(F)F)C=C2)N=CC=1C(O)=O)C |
| Synonyms | 5-(propan-2-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylic acid,
1135324-04-7,
5-isopropyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylic acid,
AC1Q1OBX,
SCHEMBL15168107,
CTK6A4493,
ZINC12480948,
AKOS008110727,
MCULE-9854894424,
NE22095,
EN300-35648,
Z367452362,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.253g/mol |
| Monoisotopic Mass | 299.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number