0SQ
Summary
| Name: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea |
| Formula: | C15 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 272.346 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea |
| OpenEye OEToolkits | 1.7.6 | 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H20N4O/c1-10-5-7-11(8-6-10)19-13(17-14(16)20)9-12(18-19)15(2,3)4/h5-9H,1-4H3,(H3,16,17,20) |
| InChIKey | InChI | 1.03 | PXDGOKVFTJDAPC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(cc1)n2nc(cc2NC(N)=O)C(C)(C)C |
| SMILES | CACTVS | 3.370 | Cc1ccc(cc1)n2nc(cc2NC(N)=O)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)N |
