| CAS Number | 1369139-06-9 |
| Catalog Number | AG01B5EY |
| Chemical Name | 4-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 4-cyclopropyl-2-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C8H10N2O2/c1-10-7(8(11)12)6(4-9-10)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12) |
| InChI Key | MDIXYPIHNOMJKO-UHFFFAOYSA-N |
| MDL Number | MFCD22030969 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | CN1C(C(O)=O)=C(C2CC2)C=N1 |
| Synonyms | 4-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid,
1369139-06-9,
ZINC75395027,
AKOS022667840,
Z2519002105,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number