JF5
Summary
| Name: | (phenylmethyl) 1~{H}-pyrazole-4-carboxylate |
| Formula: | C11 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 202.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (phenylmethyl) 1~{H}-pyrazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H10N2O2/c14-11(10-6-12-13-7-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13) |
| InChIKey | InChI | 1.03 | OZQCSFKTURXPAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(OCc1ccccc1)c2c[nH]nc2 |
| SMILES | CACTVS | 3.385 | O=C(OCc1ccccc1)c2c[nH]nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)c2c[nH]nc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)c2c[nH]nc2 |
