UQJ
Summary
| Name: | 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide |
| Formula: | C6 H7 F2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 175.136 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 3-[bis(fluoranyl)methyl]-1-methyl-pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(=O)c1c(C(F)F)nn(c1)C |
| InChI | InChI | 1.03 | InChI=1S/C6H7F2N3O/c1-11-2-3(6(9)12)4(10-11)5(7)8/h2,5H,1H3,(H2,9,12) |
| InChIKey | InChI | 1.03 | XNXCINUKGNQCEZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(C(N)=O)c(n1)C(F)F |
| SMILES | CACTVS | 3.385 | Cn1cc(C(N)=O)c(n1)C(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)C(F)F)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(c(n1)C(F)F)C(=O)N |
