Mol Weight - 177.182
Smiles - Nc([nH]nc1)c1-c(cc1)ccc1F
InChI - SIXWIUJQBBANGK-UHFFFAOYSA-N
InChIKey - InChI=1S/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
| Property Name | Property Value |
| Mol Name | 4-(4-fluorophenyl)-1h-pyrazol-5-amine |
| Molweight | 177.182 |
| Monoisotopic Mass | 177.070225 |
| Clogp | 0.9873 |
| Clogs | -3.19 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 136.22 |
| Relative Psa | 0.29533 |
| Polar Surface Area | 54.7 |
| Druglikeness | 1.57 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.61538 |
| Molecular Flexibility | 0.3672 |
| Molecular Complexity | 0.655 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 2 |
| Smiles | Nc([nH]nc1)c1-c(cc1)ccc1F |
| InChIKey | InChI=1S/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13) |
| InChI | SIXWIUJQBBANGK-UHFFFAOYSA-N |
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1 — 4-(4-fluorophenyl)-1h-pyrazol-5-amine | 2 — 4-(4-fluorophenyl)-1h-pyrazol-5-amine