UXJ
Summary
| Name: | 2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline |
| Formula: | C11 H12 F N3 |
| Formal charge: | 0 |
| Formula weight: | 205.231 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline |
| OpenEye OEToolkits | 2.0.7 | 2-fluoranyl-~{N}-[(3-methyl-1~{H}-pyrazol-4-yl)methyl]aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2cc(CNc1ccccc1F)c(n2)C |
| InChI | InChI | 1.03 | InChI=1S/C11H12FN3/c1-8-9(7-14-15-8)6-13-11-5-3-2-4-10(11)12/h2-5,7,13H,6H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | PPJRDGIYQROBCH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n[nH]cc1CNc2ccccc2F |
| SMILES | CACTVS | 3.385 | Cc1n[nH]cc1CNc2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c[nH]n1)CNc2ccccc2F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c[nH]n1)CNc2ccccc2F |
