JH1
Summary
| Name: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide |
| Formula: | C13 H14 F N3 O |
| Formal charge: | 0 |
| Formula weight: | 247.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 1-ethyl-~{N}-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc(F)c1)CNC(c2cn(CC)nc2)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H14FN3O/c1-2-17-9-11(8-16-17)13(18)15-7-10-3-5-12(14)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,15,18) |
| InChIKey | InChI | 1.03 | JRTRCSIVSIKKCQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1cc(cn1)C(=O)NCc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CCn1cc(cn1)C(=O)NCc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCn1cc(cn1)C(=O)NCc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCn1cc(cn1)C(=O)NCc2ccc(cc2)F |
