| CAS Number | 1392516-19-6 |
| Catalog Number | AG01DVZY |
| Chemical Name | 3-Cyclobutyl-1-methyl-1H-pyrazole-5-carboxylic acid |
| IUPAC Name | 5-cyclobutyl-2-methylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C9H12N2O2/c1-11-8(9(12)13)5-7(10-11)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,12,13) |
| InChI Key | NIDZRYJEUFEWBB-UHFFFAOYSA-N |
| MDL Number | MFCD27940273 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | CN1C(C(O)=O)=CC(C2CCC2)=N1 |
| Synonyms | 3-Cyclobutyl-1-methyl-1H-pyrazole-5-carboxylic acid,
1392516-19-6,
SCHEMBL11899894,
ZINC96528526,
AKOS027453948,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number