3M3
Summary
| Name: | 4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1H-pyrazole |
| Formula: | C14 H17 F N2 O |
| Formal charge: | 0 |
| Formula weight: | 248.296 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1H-pyrazole |
| OpenEye OEToolkits | 1.7.0 | 4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1H-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc2ccccc2OCCCc1c(nnc1C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1[nH]nc(C)c1CCCOc2ccccc2F |
| SMILES | CACTVS | 3.370 | Cc1[nH]nc(C)c1CCCOc2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(c(n[nH]1)C)CCCOc2ccccc2F |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(c(n[nH]1)C)CCCOc2ccccc2F |
| InChI | InChI | 1.03 | InChI=1S/C14H17FN2O/c1-10-12(11(2)17-16-10)6-5-9-18-14-8-4-3-7-13(14)15/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17) |
| InChIKey | InChI | 1.03 | SIXWAFDHGGAHMK-UHFFFAOYSA-N |
