| CAS Number | 957129-37-2 |
| Catalog Number | AG01BXT1 |
| Chemical Name | 5-CYCLOBUTYL-1H-PYRAZOLE-3-CARBOXYLIC ACID |
| IUPAC Name | 5-cyclobutyl-1H-pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C8H10N2O2/c11-8(12)7-4-6(9-10-7)5-2-1-3-5/h4-5H,1-3H2,(H,9,10)(H,11,12) |
| InChI Key | VKUSZPYMCIJUJR-UHFFFAOYSA-N |
| MDL Number | MFCD24394917 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | OC(C1=NNC(C2CCC2)=C1)=O |
| Synonyms | 5-cyclobutyl-1H-pyrazole-3-carboxylic acid,
957129-37-2,
CHEMBL245491,
SCHEMBL6761699,
BDBM50216524,
ZINC28824278,
3-cyclobutyl-1H-pyrazole-5-carboxylic acid,
5-Cyclobutyl-2H-pyrazole-3-carboxylic acid,
|
| Complexity | 192 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number