| CAS Number | 1152975-89-7 |
| Catalog Number | AG00HCYY(AGN-PC-0WR9Z6) |
| Chemical Name | 5-Cyclopropyl-1-(pyridin-2-yl)-1h-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C12H11N3O2/c16-12(17)9-7-14-15(11(9)8-4-5-8)10-3-1-2-6-13-10/h1-3,6-8H,4-5H2,(H,16,17) |
| InChI Key | QNXCBZBVGWLWCK-UHFFFAOYSA-N |
| MDL Number | MFCD11156671 |
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.2346 |
| SMILES | OC(=O)c1cnn(c1C1CC1)c1ccccn1 |
| Synonyms | 5-Cyclopropyl-1-(pyridin-2-yl)-1h-pyrazole-4-carboxylic acid,
1152975-89-7,
ZINC20082287,
AKOS009186817,
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| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.239g/mol |
| Monoisotopic Mass | 229.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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