UQS
Summary
| Name: | N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine |
| Formula: | C10 H10 F N3 |
| Formal charge: | 0 |
| Formula weight: | 191.205 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2-fluorophenyl)methyl]-1~{H}-pyrazol-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2ncc(NCc1ccccc1F)c2 |
| InChI | InChI | 1.03 | InChI=1S/C10H10FN3/c11-10-4-2-1-3-8(10)5-12-9-6-13-14-7-9/h1-4,6-7,12H,5H2,(H,13,14) |
| InChIKey | InChI | 1.03 | PDSIYANAENEXNZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1CNc2c[nH]nc2 |
| SMILES | CACTVS | 3.385 | Fc1ccccc1CNc2c[nH]nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2c[nH]nc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CNc2c[nH]nc2)F |
