A1BYF
Summary
| Name: | 5-{[(cyclopropylmethyl)amino]methyl}-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| Formula: | C16 H21 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 331.436 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-{[(cyclopropylmethyl)amino]methyl}-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 5-[(cyclopropylmethylamino)methyl]-~{N}-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1~{H}-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCc1nc(cs1)C1CC1)c1cc(CNCC2CC2)[NH]n1 |
| InChI | InChI | 1.06 | InChI=1S/C16H21N5OS/c22-16(18-8-15-19-14(9-23-15)11-3-4-11)13-5-12(20-21-13)7-17-6-10-1-2-10/h5,9-11,17H,1-4,6-8H2,(H,18,22)(H,20,21) |
| InChIKey | InChI | 1.06 | SFATUIRQTKFPPJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1scc(n1)C2CC2)c3cc(CNCC4CC4)[nH]n3 |
| SMILES | CACTVS | 3.385 | O=C(NCc1scc(n1)C2CC2)c3cc(CNCC4CC4)[nH]n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c([nH]nc1C(=O)NCc2nc(cs2)C3CC3)CNCC4CC4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c([nH]nc1C(=O)NCc2nc(cs2)C3CC3)CNCC4CC4 |
