3H5
Summary
| Name: | N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide |
| Formula: | C13 H13 N5 O |
| Formal charge: | 0 |
| Formula weight: | 255.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide |
| OpenEye OEToolkits | 1.9.2 | N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cn(nc1C)C)Nc3nc2ccccc2n3 |
| InChI | InChI | 1.03 | InChI=1S/C13H13N5O/c1-8-9(7-18(2)17-8)12(19)16-13-14-10-5-3-4-6-11(10)15-13/h3-7H,1-2H3,(H2,14,15,16,19) |
| InChIKey | InChI | 1.03 | ATWRDFSNOOXDOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(C(=O)Nc2[nH]c3ccccc3n2)c(C)n1 |
| SMILES | CACTVS | 3.385 | Cn1cc(C(=O)Nc2[nH]c3ccccc3n2)c(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(cn(n1)C)C(=O)Nc2[nH]c3ccccc3n2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(cn(n1)C)C(=O)Nc2[nH]c3ccccc3n2 |
