50C
Summary
| Name: | 3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-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 | 3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine |
| OpenEye OEToolkits | 1.9.2 | 3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(ccc(c1c(C)c(N)nn1)c2)F |
| InChI | InChI | 1.03 | InChI=1S/C10H10FN3/c1-6-9(13-14-10(6)12)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14) |
| InChIKey | InChI | 1.03 | SNBMBGHZPHKNIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(N)[nH]nc1c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | Cc1c(N)[nH]nc1c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(n[nH]c1N)c2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(n[nH]c1N)c2ccc(cc2)F |
