HHV
Summary
| Name: | 5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide |
| Formula: | C10 H11 N5 O |
| Formal charge: | 0 |
| Formula weight: | 217.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide |
| OpenEye OEToolkits | 1.6.1 | 5-(pyridin-3-ylmethylamino)-1H-pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(c2c(NCc1cccnc1)nnc2)N |
| SMILES_CANONICAL | CACTVS | 3.352 | NC(=O)c1cn[nH]c1NCc2cccnc2 |
| SMILES | CACTVS | 3.352 | NC(=O)c1cn[nH]c1NCc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H11N5O/c11-9(16)8-6-14-15-10(8)13-5-7-2-1-3-12-4-7/h1-4,6H,5H2,(H2,11,16)(H2,13,14,15) |
| InChIKey | InChI | 1.03 | LBLVYSJDBWSBHZ-UHFFFAOYSA-N |
