QHN
Summary
| Name: | 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid |
| Formula: | C13 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 228.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12N2O2/c16-13(17)11-8-14-15(12(11)9-6-7-9)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17) |
| InChIKey | InChI | 1.03 | GOFLYUKBUGVGJT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cnn(c2ccccc2)c1C3CC3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cnn(c2ccccc2)c1C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2c(c(cn2)C(=O)O)C3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)n2c(c(cn2)C(=O)O)C3CC3 |
