N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane

C64H44F18N13O5S2+ — CID 161121355

About N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane

N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane (PubChem CID 161121355) has the molecular formula C64H44F18N13O5S2+ and a molecular weight of 1481.24 g/mol. Its IUPAC name is N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane.

Molecular Properties

• Compound Name: N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane
• PubChem CID: 161121355
• Molecular Formula: C64H44F18N13O5S2+
• Molecular Weight: 1481.24 g/mol
• Exact Mass: 1480.27
• IUPAC Name: N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane
• SMILES: C.CC1=[N+](Cc2ccc(C(F)(F)F)cc2C(F)(F)F)N=CC1NC(=O)c1cc(-c2cccs2)on1.Cc1nn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cncc(-c2ccccn2)c1.O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cc(-c2cccs2)on1
• InChI: InChI=1S/C23H15F6N5O.C21H14F6N4O2S.C19H10F6N4O2S.CH4/c1-13-19(32-21(35)15-8-14(10-30-11-15)18-4-2-3-7-31-18)12-34(33-13)20-6-5-16(22(24,25)26)9-17(20)23(27,28)29;1-11-16(29-19(32)15-8-17(33-30-15)18-3-2-6-34-18)9-28-31(11)10-12-4-5-13(20(22,23)24)7-14(12)21(25,26)27;20-18(21,22)10-3-4-14(12(6-10)19(23,24)25)29-9-11(8-26-29)27-17(30)13-7-15(31-28-13)16-2-1-5-32-16;/h2-12H,1H3,(H,32,35);2-9,16H,10H2,1H3;1-9H,(H,27,30);1H4/p+1
• InChIKey: WNQWERGVVABAIL-UHFFFAOYSA-O
• XLogP: 17.65
• TPSA: 216.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.24
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane?

The IUPAC name of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane (CID 161121355) is N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane.

What is the SMILES notation for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane?

The canonical SMILES for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane is C.CC1=[N+](Cc2ccc(C(F)(F)F)cc2C(F)(F)F)N=CC1NC(=O)c1cc(-c2cccs2)on1.Cc1nn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cncc(-c2ccccn2)c1.O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cc(-c2cccs2)on1.

What is the InChIKey of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane?

The InChIKey is WNQWERGVVABAIL-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H15F6N5O.C21H14F6N4O2S.C19H10F6N4O2S.CH4/c1-13-19(32-21(35)15-8-14(10-30-11-15)18-4-2-3-7-31-18)12-34(33-13)20-6-5-16(22(24,25)26)9-17(20)23(27,28)29;1-11-16(29-19(32)15-8-17(33-30-15)18-3-2-6-34-18)9-28-31(11)10-12-4-5-13(20(22,23)24)7-14(12)21(25,26)27;20-18(21,22)10-3-4-14(12(6-10)19(23,24)25)29-9-11(8-26-29)27-17(30)13-7-15(31-28-13)16-2-1-5-32-16;/h2-12H,1H3,(H,32,35);2-9,16H,10H2,1H3;1-9H,(H,27,30);1H4/p+1.

What are the key properties of N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane?

N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane has a molecular weight of 1481.24 g/mol, XLogP of 17.65, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methyl-4H-pyrazol-1-ium-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methane is sourced from PubChem (CID 161121355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).