(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane

C33H35F8N10O5P — CID 167643896

About (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane

(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane (PubChem CID 167643896) has the molecular formula C33H35F8N10O5P and a molecular weight of 840.69 g/mol. Its IUPAC name is (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane.

Molecular Properties

• Compound Name: (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane
• PubChem CID: 167643896
• Molecular Formula: C33H35F8N10O5P
• Molecular Weight: 840.69 g/mol
• Exact Mass: 840.26
• IUPAC Name: (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane
• SMILES: C.C[C@@H](N)c1nc(-c2cccc(F)c2)no1.C[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)O.[3H]P([3H])[3H]
• InChI: InChI=1S/C16H13F4N5O2.C10H10FN3O.C6H5F3N2O2.CH4.H3P/c1-8(15-22-13(24-27-15)9-4-3-5-10(17)6-9)21-14(26)11-7-12(16(18,19)20)23-25(11)2;1-6(12)10-13-9(14-15-10)7-3-2-4-8(11)5-7;1-11-3(5(12)13)2-4(10-11)6(7,8)9;;/h3-8H,1-2H3,(H,21,26);2-6H,12H2,1H3;2H,1H3,(H,12,13);1H4;1H3/t8-;6-;;;/m11.../s1/i;;;;1T3
• InChIKey: POGUIDPQAWUNIX-IZXJIDHHSA-N
• XLogP: 6.85
• TPSA: 205.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	840.69
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane?

The IUPAC name of (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane (CID 167643896) is (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane.

What is the SMILES notation for (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane?

The canonical SMILES for (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane is C.C[C@@H](N)c1nc(-c2cccc(F)c2)no1.C[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)O.[3H]P([3H])[3H].

What is the InChIKey of (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane?

The InChIKey is POGUIDPQAWUNIX-IZXJIDHHSA-N. The full InChI is InChI=1S/C16H13F4N5O2.C10H10FN3O.C6H5F3N2O2.CH4.H3P/c1-8(15-22-13(24-27-15)9-4-3-5-10(17)6-9)21-14(26)11-7-12(16(18,19)20)23-25(11)2;1-6(12)10-13-9(14-15-10)7-3-2-4-8(11)5-7;1-11-3(5(12)13)2-4(10-11)6(7,8)9;;/h3-8H,1-2H3,(H,21,26);2-6H,12H2,1H3;2H,1H3,(H,12,13);1H4;1H3/t8-;6-;;;/m11.../s1/i;;;;1T3.

What are the key properties of (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane?

(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane has a molecular weight of 840.69 g/mol, XLogP of 6.85, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;tritritiophosphane is sourced from PubChem (CID 167643896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).