bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole

C96H110Br2F15N35O11 — CID 167626311

About bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole

bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole (PubChem CID 167626311) has the molecular formula C96H110Br2F15N35O11 and a molecular weight of 2374.95 g/mol. Its IUPAC name is bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole.

Molecular Properties

• Compound Name: bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole
• PubChem CID: 167626311
• Molecular Formula: C96H110Br2F15N35O11
• Molecular Weight: 2374.95 g/mol
• Exact Mass: 2371.73
• IUPAC Name: bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole
• SMILES: C.CC(C)C.CNC.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(CBr)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(CBr)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(CN(C)C)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(CN3CCCC3)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(CO)c2)no1.c1cn[nH]c1
• InChI: InChI=1S/C20H22F3N7O2.C18H20F3N7O2.2C16H14BrF3N6O2.C16H15F3N6O3.C4H10.C3H4N2.C2H7N.CH4/c1-12(25-18(31)15-10-16(20(21,22)23)27-29(15)2)19-26-17(28-32-19)13-5-6-24-14(9-13)11-30-7-3-4-8-30;1-10(23-16(29)13-8-14(18(19,20)21)25-28(13)4)17-24-15(26-30-17)11-5-6-22-12(7-11)9-27(2)3;2*1-8(22-14(27)11-6-12(16(18,19)20)24-26(11)2)15-23-13(25-28-15)9-3-4-21-10(5-9)7-17;1-8(21-14(27)11-6-12(16(17,18)19)23-25(11)2)15-22-13(24-28-15)9-3-4-20-10(5-9)7-26;1-4(2)3;1-2-4-5-3-1;1-3-2;/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,31);5-8,10H,9H2,1-4H3,(H,23,29);2*3-6,8H,7H2,1-2H3,(H,22,27);3-6,8,26H,7H2,1-2H3,(H,21,27);4H,1-3H3;1-3H,(H,4,5);3H,1-2H3;1H4/t12-;10-;3*8-;;;;/m00000..../s1
• InChIKey: NDPBPOVWULVIEE-WMTHJKGPSA-N
• XLogP: 16.36
• TPSA: 561.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2374.95
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole?

The IUPAC name of bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole (CID 167626311) is bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole.

What is the SMILES notation for bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole?

The canonical SMILES for bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole is C.CC(C)C.CNC.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(CBr)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(CBr)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(CN(C)C)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(CN3CCCC3)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(CO)c2)no1.c1cn[nH]c1.

What is the InChIKey of bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole?

The InChIKey is NDPBPOVWULVIEE-WMTHJKGPSA-N. The full InChI is InChI=1S/C20H22F3N7O2.C18H20F3N7O2.2C16H14BrF3N6O2.C16H15F3N6O3.C4H10.C3H4N2.C2H7N.CH4/c1-12(25-18(31)15-10-16(20(21,22)23)27-29(15)2)19-26-17(28-32-19)13-5-6-24-14(9-13)11-30-7-3-4-8-30;1-10(23-16(29)13-8-14(18(19,20)21)25-28(13)4)17-24-15(26-30-17)11-5-6-22-12(7-11)9-27(2)3;2*1-8(22-14(27)11-6-12(16(18,19)20)24-26(11)2)15-23-13(25-28-15)9-3-4-21-10(5-9)7-17;1-8(21-14(27)11-6-12(16(17,18)19)23-25(11)2)15-22-13(24-28-15)9-3-4-20-10(5-9)7-26;1-4(2)3;1-2-4-5-3-1;1-3-2;/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,25,31);5-8,10H,9H2,1-4H3,(H,23,29);2*3-6,8H,7H2,1-2H3,(H,22,27);3-6,8,26H,7H2,1-2H3,(H,21,27);4H,1-3H3;1-3H,(H,4,5);3H,1-2H3;1H4/t12-;10-;3*8-;;;;/m00000..../s1.

What are the key properties of bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole?

bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole has a molecular weight of 2374.95 g/mol, XLogP of 16.36, 27 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole is sourced from PubChem (CID 167626311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).