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

C101H83F30N15O10 — CID 159362884

IUPAC(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane
SMILESC.C.C.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)/C=C/c2ccco2)cn1.Cc1c(NC(=O)/C=C/c2ccco2)cnn1-c1ccc(C(F)(F)F)cc1C(F)(F)F.Cc1c(NC(=O)/C=C/c2ccco2)cnn1C(C)c1ccc(C(F)(F)F)cc1C(F)(F)F.Cc1c(NC(=O)/C=C/c2ccco2)cnn1Cc1ccc(C(F)(F)F)cc1C(F)(F)F.O=C(/C=C/c1ccco1)Nc1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C21H17F6N3O2.2C20H15F6N3O2.C19H13F6N3O2.C18H11F6N3O2.3CH4/c1-12(16-7-5-14(20(22,23)24)10-17(16)21(25,26)27)30-13(2)18(11-28-30)29-19(31)8-6-15-4-3-9-32-15;1-12(16-6-4-13(19(21,22)23)9-17(16)20(24,25)26)29-11-14(10-27-29)28-18(30)7-5-15-3-2-8-31-15;1-12-17(28-18(30)7-6-15-3-2-8-31-15)10-27-29(12)11-13-4-5-14(19(21,22)23)9-16(13)20(24,25)26;1-11-15(27-17(29)7-5-13-3-2-8-30-13)10-26-28(11)16-6-4-12(18(20,21)22)9-14(16)19(23,24)25;19-17(20,21)11-3-5-15(14(8-11)18(22,23)24)27-10-12(9-25-27)26-16(28)6-4-13-2-1-7-29-13;;;/h3-12H,1-2H3,(H,29,31);2-12H,1H3,(H,28,30);2-10H,11H2,1H3,(H,28,30);2-10H,1H3,(H,27,29);1-10H,(H,26,28);3*1H4/b8-6+;7-5+;7-6+;7-5+;6-4+;;;
InChIKeyLITLNJZUGLTEGV-XVNVECECSA-N
MW2236.81 g/mol
LogP29.91
Rot. Bonds23

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

(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane (PubChem CID 159362884) has the molecular formula C101H83F30N15O10 and a molecular weight of 2236.81 g/mol. Its IUPAC name is (E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane.

Molecular Properties

Compound Name(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane
PubChem CID159362884
Molecular FormulaC101H83F30N15O10
Molecular Weight2236.81 g/mol
Exact Mass2235.60
IUPAC Name(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane
SMILESC.C.C.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)/C=C/c2ccco2)cn1.Cc1c(NC(=O)/C=C/c2ccco2)cnn1-c1ccc(C(F)(F)F)cc1C(F)(F)F.Cc1c(NC(=O)/C=C/c2ccco2)cnn1C(C)c1ccc(C(F)(F)F)cc1C(F)(F)F.Cc1c(NC(=O)/C=C/c2ccco2)cnn1Cc1ccc(C(F)(F)F)cc1C(F)(F)F.O=C(/C=C/c1ccco1)Nc1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C21H17F6N3O2.2C20H15F6N3O2.C19H13F6N3O2.C18H11F6N3O2.3CH4/c1-12(16-7-5-14(20(22,23)24)10-17(16)21(25,26)27)30-13(2)18(11-28-30)29-19(31)8-6-15-4-3-9-32-15;1-12(16-6-4-13(19(21,22)23)9-17(16)20(24,25)26)29-11-14(10-27-29)28-18(30)7-5-15-3-2-8-31-15;1-12-17(28-18(30)7-6-15-3-2-8-31-15)10-27-29(12)11-13-4-5-14(19(21,22)23)9-16(13)20(24,25)26;1-11-15(27-17(29)7-5-13-3-2-8-30-13)10-26-28(11)16-6-4-12(18(20,21)22)9-14(16)19(23,24)25;19-17(20,21)11-3-5-15(14(8-11)18(22,23)24)27-10-12(9-25-27)26-16(28)6-4-13-2-1-7-29-13;;;/h3-12H,1-2H3,(H,29,31);2-12H,1H3,(H,28,30);2-10H,11H2,1H3,(H,28,30);2-10H,1H3,(H,27,29);1-10H,(H,26,28);3*1H4/b8-6+;7-5+;7-6+;7-5+;6-4+;;;
InChIKeyLITLNJZUGLTEGV-XVNVECECSA-N
XLogP29.91
TPSA300.30 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms156
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002236.81
LogP ≤ 529.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane?
The IUPAC name of (E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane (CID 159362884) is (E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane.
What is the SMILES notation for (E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane?
The canonical SMILES for (E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane is C.C.C.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)/C=C/c2ccco2)cn1.Cc1c(NC(=O)/C=C/c2ccco2)cnn1-c1ccc(C(F)(F)F)cc1C(F)(F)F.Cc1c(NC(=O)/C=C/c2ccco2)cnn1C(C)c1ccc(C(F)(F)F)cc1C(F)(F)F.Cc1c(NC(=O)/C=C/c2ccco2)cnn1Cc1ccc(C(F)(F)F)cc1C(F)(F)F.O=C(/C=C/c1ccco1)Nc1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1.
What is the InChIKey of (E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane?
The InChIKey is LITLNJZUGLTEGV-XVNVECECSA-N. The full InChI is InChI=1S/C21H17F6N3O2.2C20H15F6N3O2.C19H13F6N3O2.C18H11F6N3O2.3CH4/c1-12(16-7-5-14(20(22,23)24)10-17(16)21(25,26)27)30-13(2)18(11-28-30)29-19(31)8-6-15-4-3-9-32-15;1-12(16-6-4-13(19(21,22)23)9-17(16)20(24,25)26)29-11-14(10-27-29)28-18(30)7-5-15-3-2-8-31-15;1-12-17(28-18(30)7-6-15-3-2-8-31-15)10-27-29(12)11-13-4-5-14(19(21,22)23)9-16(13)20(24,25)26;1-11-15(27-17(29)7-5-13-3-2-8-30-13)10-26-28(11)16-6-4-12(18(20,21)22)9-14(16)19(23,24)25;19-17(20,21)11-3-5-15(14(8-11)18(22,23)24)27-10-12(9-25-27)26-16(28)6-4-13-2-1-7-29-13;;;/h3-12H,1-2H3,(H,29,31);2-12H,1H3,(H,28,30);2-10H,11H2,1H3,(H,28,30);2-10H,1H3,(H,27,29);1-10H,(H,26,28);3*1H4/b8-6+;7-5+;7-6+;7-5+;6-4+;;;.
What are the key properties of (E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane?
(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane has a molecular weight of 2236.81 g/mol, XLogP of 29.91, 23 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;methane is sourced from PubChem (CID 159362884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).