WVI
Summary
| Name: | 3-METHYL-4-(THIOPHEN-2-YL)-1H-PYRAZOL-5-AMINE |
| Formula: | C8 H9 N3 S |
| Formal charge: | 0 |
| Formula weight: | 179.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methyl-4-(thiophen-2-yl)-1H-pyrazol-5-amine |
| OpenEye OEToolkits | 1.9.2 | 3-methyl-4-thiophen-2-yl-1H-pyrazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nc(c(c1C)c2sccc2)N |
| InChI | InChI | 1.03 | InChI=1S/C8H9N3S/c1-5-7(8(9)11-10-5)6-3-2-4-12-6/h2-4H,1H3,(H3,9,10,11) |
| InChIKey | InChI | 1.03 | LTNSHOVGLDMJRU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n[nH]c(N)c1c2sccc2 |
| SMILES | CACTVS | 3.385 | Cc1n[nH]c(N)c1c2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c([nH]n1)N)c2cccs2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c([nH]n1)N)c2cccs2 |
