LE7
Summary
| Name: | N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide |
| Formula: | C14 H16 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 261.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-fluorophenyl)methyl]-3-propyl-1~{H}-pyrazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(cc(CCC)n1)C(NCc2ccc(cc2)F)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H16FN3O/c1-2-3-12-8-13(18-17-12)14(19)16-9-10-4-6-11(15)7-5-10/h4-8H,2-3,9H2,1H3,(H,16,19)(H,17,18) |
| InChIKey | InChI | 1.03 | KKFBJVYZUOHAJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1cc([nH]n1)C(=O)NCc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CCCc1cc([nH]n1)C(=O)NCc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCc1cc([nH]n1)C(=O)NCc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCc1cc([nH]n1)C(=O)NCc2ccc(cc2)F |
