Mol Weight - 202.192
Smiles - Nc(n(-c(cc1)ccc1F)nc1)c1C#N
| Property Name | Property Value |
| Mol Name | 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile |
| Molweight | 202.192 |
| Monoisotopic Mass | 202.065474 |
| Clogp | 0.4389 |
| Clogs | -3.039 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 157.56 |
| Relative Psa | 0.2962 |
| Polar Surface Area | 67.63 |
| Druglikeness | -2.1295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.3019 |
| Molecular Complexity | 0.72413 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 2 |
| Smiles | Nc(n(-c(cc1)ccc1F)nc1)c1C#N |
| InChIKey | InChI=1S/C10H7FN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2 |
| InChI | SZEJYPAPBGNEMH-UHFFFAOYSA-N |
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1 — 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile | 2 — 5-amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile