K4T
Summary
| Name: | ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide |
| Formula: | C14 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 241.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H15N3O/c1-17-13(14(18)15-11-7-8-11)9-12(16-17)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,15,18) |
| InChIKey | InChI | 1.03 | YAWQTWUACTVACS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(cc1C(=O)NC2CC2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | Cn1nc(cc1C(=O)NC2CC2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3 |
