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

C117H95F25N25O8+3 — CID 159315096

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

N-[2-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane (PubChem CID 159315096) has the molecular formula C117H95F25N25O8+3 and a molecular weight of 2454.16 g/mol. Its IUPAC name is N-[2-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane.

Molecular Properties

• Compound Name: N-[2-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane
• PubChem CID: 159315096
• Molecular Formula: C117H95F25N25O8+3
• Molecular Weight: 2454.16 g/mol
• Exact Mass: 2452.74
• IUPAC Name: N-[2-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane
• SMILES: C.CC(F)(F)c1ccc(-[n+]2cc(NC(=O)c3cncc(-c4ccccn4)c3)c[nH]2)c(C(F)(F)F)c1.CC(c1ccc(C(F)(F)F)cc1C(C)(F)F)n1cc(NC(=O)c2cncc(-c3ccccn3)c2)cn1.Cc1[nH][n+](-c2ccc(C(C)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccccn2)on1.Cc1[nH][n+](C(C)c2ccc(C(F)(F)F)cc2C(C)(F)F)cc1NC(=O)c1cc(-c2ccccn2)on1.Cc1c(NC(=O)c2cc(-c3ccccn3)on2)cnn1-c1ccc(C(C)(F)F)cc1C(F)(F)F
• InChI: InChI=1S/C25H20F5N5O.C24H20F5N5O2.C23H16F5N5O.2C22H16F5N5O2.CH4/c1-15(20-7-6-18(25(28,29)30)10-21(20)24(2,26)27)35-14-19(13-33-35)34-23(36)17-9-16(11-31-12-17)22-5-3-4-8-32-22;1-13-20(31-22(35)19-11-21(36-33-19)18-6-4-5-9-30-18)12-34(32-13)14(2)16-8-7-15(24(27,28)29)10-17(16)23(3,25)26;1-22(24,25)16-5-6-20(18(9-16)23(26,27)28)33-13-17(12-31-33)32-21(34)15-8-14(10-29-11-15)19-4-2-3-7-30-19;1-12-17(29-20(33)16-10-19(34-31-16)15-5-3-4-8-28-15)11-32(30-12)18-7-6-13(21(2,23)24)9-14(18)22(25,26)27;1-12-17(30-20(33)16-10-19(34-31-16)15-5-3-4-8-28-15)11-29-32(12)18-7-6-13(21(2,23)24)9-14(18)22(25,26)27;/h3-15H,1-2H3,(H,34,36);4-12,14H,1-3H3,(H,31,35);2-13H,1H3,(H,32,34);3-11H,1-2H3,(H,29,33);3-11H,1-2H3,(H,30,33);1H4/p+3
• InChIKey: XEODALBOYLTDBN-UHFFFAOYSA-Q
• XLogP: 28.40
• TPSA: 408.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2454.16
LogP ≤ 5	28.40
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-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane?

The IUPAC name of N-[2-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane (CID 159315096) is N-[2-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(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-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane?

The canonical SMILES for N-[2-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane is C.CC(F)(F)c1ccc(-[n+]2cc(NC(=O)c3cncc(-c4ccccn4)c3)c[nH]2)c(C(F)(F)F)c1.CC(c1ccc(C(F)(F)F)cc1C(C)(F)F)n1cc(NC(=O)c2cncc(-c3ccccn3)c2)cn1.Cc1[nH][n+](-c2ccc(C(C)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccccn2)on1.Cc1[nH][n+](C(C)c2ccc(C(F)(F)F)cc2C(C)(F)F)cc1NC(=O)c1cc(-c2ccccn2)on1.Cc1c(NC(=O)c2cc(-c3ccccn3)on2)cnn1-c1ccc(C(C)(F)F)cc1C(F)(F)F.

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

The InChIKey is XEODALBOYLTDBN-UHFFFAOYSA-Q. The full InChI is InChI=1S/C25H20F5N5O.C24H20F5N5O2.C23H16F5N5O.2C22H16F5N5O2.CH4/c1-15(20-7-6-18(25(28,29)30)10-21(20)24(2,26)27)35-14-19(13-33-35)34-23(36)17-9-16(11-31-12-17)22-5-3-4-8-32-22;1-13-20(31-22(35)19-11-21(36-33-19)18-6-4-5-9-30-18)12-34(32-13)14(2)16-8-7-15(24(27,28)29)10-17(16)23(3,25)26;1-22(24,25)16-5-6-20(18(9-16)23(26,27)28)33-13-17(12-31-33)32-21(34)15-8-14(10-29-11-15)19-4-2-3-7-30-19;1-12-17(29-20(33)16-10-19(34-31-16)15-5-3-4-8-28-15)11-32(30-12)18-7-6-13(21(2,23)24)9-14(18)22(25,26)27;1-12-17(30-20(33)16-10-19(34-31-16)15-5-3-4-8-28-15)11-29-32(12)18-7-6-13(21(2,23)24)9-14(18)22(25,26)27;/h3-15H,1-2H3,(H,34,36);4-12,14H,1-3H3,(H,31,35);2-13H,1H3,(H,32,34);3-11H,1-2H3,(H,29,33);3-11H,1-2H3,(H,30,33);1H4/p+3.

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

N-[2-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane has a molecular weight of 2454.16 g/mol, XLogP of 28.40, 27 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-4-yl]-5-pyridin-2-ylpyridine-3-carboxamide;methane is sourced from PubChem (CID 159315096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).