A1AYS
Summary
| Name: | (3M)-3-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole |
| Formula: | C11 H11 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 206.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3M)-3-(3-fluoro-4-methoxyphenyl)-4-methyl-1H-pyrazole |
| OpenEye OEToolkits | 2.0.7 | 3-(3-fluoranyl-4-methoxy-phenyl)-4-methyl-1~{H}-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1ccc(cc1F)c1n[NH]cc1C |
| InChI | InChI | 1.06 | InChI=1S/C11H11FN2O/c1-7-6-13-14-11(7)8-3-4-10(15-2)9(12)5-8/h3-6H,1-2H3,(H,13,14) |
| InChIKey | InChI | 1.06 | KPUCKYWPTNWIMH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1F)c2n[nH]cc2C |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1F)c2n[nH]cc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c[nH]nc1c2ccc(c(c2)F)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c[nH]nc1c2ccc(c(c2)F)OC |
