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

C112H80F30N25O8+3 — CID 161162818

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

N-[2-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane (PubChem CID 161162818) has the molecular formula C112H80F30N25O8+3 and a molecular weight of 2473.98 g/mol. Its IUPAC name is N-[2-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane.

Molecular Properties

• Compound Name: N-[2-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane
• PubChem CID: 161162818
• Molecular Formula: C112H80F30N25O8+3
• Molecular Weight: 2473.98 g/mol
• Exact Mass: 2472.61
• IUPAC Name: N-[2-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane
• SMILES: C.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cncc(-c3ccccn3)c2)cn1.Cc1[nH][n+](-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccccn2)on1.Cc1[nH][n+](C(C)c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccccn2)on1.Cc1c(NC(=O)c2cc(-c3ccccn3)on2)cnn1-c1ccc(C(F)(F)F)cc1C(F)(F)F.O=C(Nc1c[nH][n+](-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cncc(-c2ccccn2)c1
• InChI: InChI=1S/C24H17F6N5O.C23H17F6N5O2.C22H13F6N5O.2C21H13F6N5O2.CH4/c1-14(19-6-5-17(23(25,26)27)9-20(19)24(28,29)30)35-13-18(12-33-35)34-22(36)16-8-15(10-31-11-16)21-4-2-3-7-32-21;1-12-19(31-21(35)18-10-20(36-33-18)17-5-3-4-8-30-17)11-34(32-12)13(2)15-7-6-14(22(24,25)26)9-16(15)23(27,28)29;23-21(24,25)15-4-5-19(17(8-15)22(26,27)28)33-12-16(11-31-33)32-20(34)14-7-13(9-29-10-14)18-3-1-2-6-30-18;1-11-16(29-19(33)15-9-18(34-31-15)14-4-2-3-7-28-14)10-32(30-11)17-6-5-12(20(22,23)24)8-13(17)21(25,26)27;1-11-16(30-19(33)15-9-18(34-31-15)14-4-2-3-7-28-14)10-29-32(11)17-6-5-12(20(22,23)24)8-13(17)21(25,26)27;/h2-14H,1H3,(H,34,36);3-11,13H,1-2H3,(H,31,35);1-12H,(H,32,34);2-10H,1H3,(H,29,33);2-10H,1H3,(H,30,33);1H4/p+3
• InChIKey: BKSYHLHTVSTRPI-UHFFFAOYSA-Q
• XLogP: 27.93
• TPSA: 408.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2473.98
LogP ≤ 5	27.93
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane (CID 161162818) is N-[2-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane.

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

The canonical SMILES for N-[2-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane is C.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cncc(-c3ccccn3)c2)cn1.Cc1[nH][n+](-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccccn2)on1.Cc1[nH][n+](C(C)c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccccn2)on1.Cc1c(NC(=O)c2cc(-c3ccccn3)on2)cnn1-c1ccc(C(F)(F)F)cc1C(F)(F)F.O=C(Nc1c[nH][n+](-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cncc(-c2ccccn2)c1.

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

The InChIKey is BKSYHLHTVSTRPI-UHFFFAOYSA-Q. The full InChI is InChI=1S/C24H17F6N5O.C23H17F6N5O2.C22H13F6N5O.2C21H13F6N5O2.CH4/c1-14(19-6-5-17(23(25,26)27)9-20(19)24(28,29)30)35-13-18(12-33-35)34-22(36)16-8-15(10-31-11-16)21-4-2-3-7-32-21;1-12-19(31-21(35)18-10-20(36-33-18)17-5-3-4-8-30-17)11-34(32-12)13(2)15-7-6-14(22(24,25)26)9-16(15)23(27,28)29;23-21(24,25)15-4-5-19(17(8-15)22(26,27)28)33-12-16(11-31-33)32-20(34)14-7-13(9-29-10-14)18-3-1-2-6-30-18;1-11-16(29-19(33)15-9-18(34-31-15)14-4-2-3-7-28-14)10-32(30-11)17-6-5-12(20(22,23)24)8-13(17)21(25,26)27;1-11-16(30-19(33)15-9-18(34-31-15)14-4-2-3-7-28-14)10-29-32(11)17-6-5-12(20(22,23)24)8-13(17)21(25,26)27;/h2-14H,1H3,(H,34,36);3-11,13H,1-2H3,(H,31,35);1-12H,(H,32,34);2-10H,1H3,(H,29,33);2-10H,1H3,(H,30,33);1H4/p+3.

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

N-[2-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane has a molecular weight of 2473.98 g/mol, XLogP of 27.93, 22 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane is sourced from PubChem (CID 161162818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).