(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane

C106H98F25N15O10 — CID 159699396

About (E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane

(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane (PubChem CID 159699396) has the molecular formula C106H98F25N15O10 and a molecular weight of 2216.99 g/mol. Its IUPAC name is (E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane.

Molecular Properties

• Compound Name: (E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane
• PubChem CID: 159699396
• Molecular Formula: C106H98F25N15O10
• Molecular Weight: 2216.99 g/mol
• Exact Mass: 2215.72
• IUPAC Name: (E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane
• SMILES: C.C.C.CC(F)(F)c1ccc(-n2cc(NC(=O)/C=C/c3ccco3)cn2)c(C(F)(F)F)c1.CC(c1ccc(C(F)(F)F)cc1C(C)(F)F)n1cc(NC(=O)/C=C/c2ccco2)cn1.Cc1c(NC(=O)/C=C/c2ccco2)cnn1-c1ccc(C(C)(F)F)cc1C(F)(F)F.Cc1c(NC(=O)/C=C/c2ccco2)cnn1C(C)c1ccc(C(F)(F)F)cc1C(C)(F)F.Cc1c(NC(=O)/C=C/c2ccco2)cnn1Cc1ccc(C(F)(F)F)cc1C(C)(F)F
• InChI: InChI=1S/C22H20F5N3O2.2C21H18F5N3O2.C20H16F5N3O2.C19H14F5N3O2.3CH4/c1-13(17-8-6-15(22(25,26)27)11-18(17)21(3,23)24)30-14(2)19(12-28-30)29-20(31)9-7-16-5-4-10-32-16;1-13(17-7-5-14(21(24,25)26)10-18(17)20(2,22)23)29-12-15(11-27-29)28-19(30)8-6-16-4-3-9-31-16;1-13-18(28-19(30)8-7-16-4-3-9-31-16)11-27-29(13)12-14-5-6-15(21(24,25)26)10-17(14)20(2,22)23;1-12-16(27-18(29)8-6-14-4-3-9-30-14)11-26-28(12)17-7-5-13(19(2,21)22)10-15(17)20(23,24)25;1-18(20,21)12-4-6-16(15(9-12)19(22,23)24)27-11-13(10-25-27)26-17(28)7-5-14-3-2-8-29-14;;;/h4-13H,1-3H3,(H,29,31);3-13H,1-2H3,(H,28,30);3-11H,12H2,1-2H3,(H,28,30);3-11H,1-2H3,(H,27,29);2-11H,1H3,(H,26,28);3*1H4/b9-7+;8-6+;8-7+;8-6+;7-5+
• InChIKey: MXKVBAFDNGFKBG-GJGLHGERSA-N
• XLogP: 30.37
• TPSA: 300.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2216.99
LogP ≤ 5	30.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane?

The IUPAC name of (E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane (CID 159699396) is (E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane.

What is the SMILES notation for (E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane?

The canonical SMILES for (E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane is C.C.C.CC(F)(F)c1ccc(-n2cc(NC(=O)/C=C/c3ccco3)cn2)c(C(F)(F)F)c1.CC(c1ccc(C(F)(F)F)cc1C(C)(F)F)n1cc(NC(=O)/C=C/c2ccco2)cn1.Cc1c(NC(=O)/C=C/c2ccco2)cnn1-c1ccc(C(C)(F)F)cc1C(F)(F)F.Cc1c(NC(=O)/C=C/c2ccco2)cnn1C(C)c1ccc(C(F)(F)F)cc1C(C)(F)F.Cc1c(NC(=O)/C=C/c2ccco2)cnn1Cc1ccc(C(F)(F)F)cc1C(C)(F)F.

What is the InChIKey of (E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane?

The InChIKey is MXKVBAFDNGFKBG-GJGLHGERSA-N. The full InChI is InChI=1S/C22H20F5N3O2.2C21H18F5N3O2.C20H16F5N3O2.C19H14F5N3O2.3CH4/c1-13(17-8-6-15(22(25,26)27)11-18(17)21(3,23)24)30-14(2)19(12-28-30)29-20(31)9-7-16-5-4-10-32-16;1-13(17-7-5-14(21(24,25)26)10-18(17)20(2,22)23)29-12-15(11-27-29)28-19(30)8-6-16-4-3-9-31-16;1-13-18(28-19(30)8-7-16-4-3-9-31-16)11-27-29(13)12-14-5-6-15(21(24,25)26)10-17(14)20(2,22)23;1-12-16(27-18(29)8-6-14-4-3-9-30-14)11-26-28(12)17-7-5-13(19(2,21)22)10-15(17)20(23,24)25;1-18(20,21)12-4-6-16(15(9-12)19(22,23)24)27-11-13(10-25-27)26-17(28)7-5-14-3-2-8-29-14;;;/h4-13H,1-3H3,(H,29,31);3-13H,1-2H3,(H,28,30);3-11H,12H2,1-2H3,(H,28,30);3-11H,1-2H3,(H,27,29);2-11H,1H3,(H,26,28);3*1H4/b9-7+;8-6+;8-7+;8-6+;7-5+;;;.

What are the key properties of (E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane?

(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane has a molecular weight of 2216.99 g/mol, XLogP of 30.37, 28 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane is sourced from PubChem (CID 159699396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).