4-(4-fluorophenyl)-1H-pyrazol-5-amine
PubChem CID: 201772
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| Compound Synonyms | 4-(4-Fluorophenyl)-1H-pyrazol-5-amine, 5848-04-4, 5848-05-5, 4-(4-fluorophenyl)-1H-pyrazol-3-amine, 5-Amino-4-(4-fluorophenyl)-1H-pyrazole, 1H-Pyrazol-3-amine, 4-(4-fluorophenyl)-, MFCD03001202, 3-amino-4-(4-fluorophenyl)pyrazole, 3-amino-4-(4-fluorophenyl)-1H-pyrazole, 4-(4-fluoro-phenyl)-2h-pyrazo-3-ylamine, Oprea1_142545, MLS000731342, SCHEMBL3472474, CHEMBL1890883, SCHEMBL17619924, VITAS-BB TBB013027, SIXWIUJQBBANGK-UHFFFAOYSA-N, HMS2609F15, ALBB-015324, BBL029819, MFCD06825234, STK364480, XH0583, AKOS000272868, AKOS001837017, NCGC00245915-01, SMR000309617, 4-(4-Fluorophenyl)-1H-pyrazol-3-ylamine, 1H-pyrazol-5-amine, 4-(4-fluorophenyl)-, DB-072486, EN300-41377, F11132, 5-Amino-4-(4-fluorophenyl)-1H-pyrazole, 97%, 1T-0013, F2164-0017, Z339407378, 624-072-3, 851-003-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 54.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCC2)CC1 |
| Np Classifier Class | Imidazole alkaloids |
| Deep Smiles | Fcccccc6))ccn[nH]c5N |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Azoles |
| Scaffold Graph Node Level | C1CCC(C2CNNC2)CC1 |
| Classyfire Subclass | Pyrazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(4-fluorophenyl)-1H-pyrazol-5-amine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H8FN3 |
| Scaffold Graph Node Bond Level | c1ccc(-c2cn[nH]c2)cc1 |
| Inchi Key | SIXWIUJQBBANGK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | diisooctylphthalate |
| Esol Class | Soluble |
| Functional Groups | cF, cN, cn[nH]c |
| Compound Name | 4-(4-fluorophenyl)-1H-pyrazol-5-amine |
| Exact Mass | 177.07 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.07 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 177.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H8FN3/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13) |
| Smiles | C1=CC(=CC=C1C2=C(NN=C2)N)F |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Histidine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Asystasia Gangetica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643975