| CAS Number | 725746-95-2 |
| Catalog Number | AG01A3QL(AGN-PC-0WO5MO) |
| Chemical Name | 5-Methyl-1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C9H14N2O2/c1-6(2)5-11-7(3)8(4-10-11)9(12)13/h4,6H,5H2,1-3H3,(H,12,13) |
| InChI Key | PXSREVWYXLMXNJ-UHFFFAOYSA-N |
| MDL Number | MFCD11185526 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.2197 |
| SMILES | CC(CN1C(C)=C(C(O)=O)C=N1)C |
| Synonyms | 5-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid,
725746-95-2,
SCHEMBL6156758,
ZINC36905560,
AKOS009319173,
MCULE-8764481463,
NE28537,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.223g/mol |
| Monoisotopic Mass | 182.106g/mol |
| Rotatable Bond Count | 3 |
| 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