9FH
Summary
| Name: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid |
| Formula: | C11 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 202.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H10N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | USSMIQWDLWJQDQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n(ncc1C(O)=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | Cc1n(ncc1C(O)=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(cnn1c2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cnn1c2ccccc2)C(=O)O |
