L15
Summary
| Name: | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE |
| Formula: | C12 H15 N3 |
| Formal charge: | 0 |
| Formula weight: | 201.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[4-(3-methyl-1H-pyrazol-4-yl)phenyl]ethanamine |
| OpenEye OEToolkits | 1.5.0 | 2-[4-(3-methyl-1H-pyrazol-4-yl)phenyl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2c(c(c1ccc(cc1)CCN)cn2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1n[nH]cc1c2ccc(CCN)cc2 |
| SMILES | CACTVS | 3.341 | Cc1n[nH]cc1c2ccc(CCN)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c[nH]n1)c2ccc(cc2)CCN |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c[nH]n1)c2ccc(cc2)CCN |
| InChI | InChI | 1.03 | InChI=1S/C12H15N3/c1-9-12(8-14-15-9)11-4-2-10(3-5-11)6-7-13/h2-5,8H,6-7,13H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | ILTOXASLQDKYJW-UHFFFAOYSA-N |
