1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole

C110H99F24N16O29+ — CID 158014547

About 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole

1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole (PubChem CID 158014547) has the molecular formula C110H99F24N16O29+ and a molecular weight of 2565.04 g/mol. Its IUPAC name is 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole.

Molecular Properties

• Compound Name: 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole
• PubChem CID: 158014547
• Molecular Formula: C110H99F24N16O29+
• Molecular Weight: 2565.04 g/mol
• Exact Mass: 2563.64
• IUPAC Name: 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole
• SMILES: C=C([O-])C1=C[CH+]C=[O+]1.CC(=O)c1ccc(C(F)(F)F)cc1C.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(N)cn1.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc([N+](=O)[O-])cn1.CCOC(=O)C(=O)CC(=O)c1ccco1.CCOC(=O)C(=O)OCC.CCOC(=O)c1cc(-c2ccco2)on1.Cc1cc(C(F)(F)F)ccc1C(C)O.NO.O=C(O)c1cc(-c2ccco2)on1.O=[N+]([O-])c1cn[nH]c1
• InChI: InChI=1S/C21H14F6N4O3.C13H9F6N3O2.C13H11F6N3.C10H11F3O.C10H9F3O.C10H9NO4.C10H10O5.C8H5NO4.C6H10O4.C6H5O2.C3H3N3O2.H3NO/c1-11(14-5-4-12(20(22,23)24)7-15(14)21(25,26)27)31-10-13(9-28-31)29-19(32)16-8-18(34-30-16)17-3-2-6-33-17;1-7(21-6-9(5-20-21)22(23)24)10-3-2-8(12(14,15)16)4-11(10)13(17,18)19;1-7(22-6-9(20)5-21-22)10-3-2-8(12(14,15)16)4-11(10)13(17,18)19;2*1-6-5-8(10(11,12)13)3-4-9(6)7(2)14;1-2-13-10(12)7-6-9(15-11-7)8-4-3-5-14-8;1-2-14-10(13)8(12)6-7(11)9-4-3-5-15-9;10-8(11)5-4-7(13-9-5)6-2-1-3-12-6;1-3-9-5(7)6(8)10-4-2;1-5(7)6-3-2-4-8-6;7-6(8)3-1-4-5-2-3;1-2/h2-11H,1H3,(H,29,32);2-7H,1H3;2-7H,20H2,1H3;3-5,7,14H,1-2H3;3-5H,1-2H3;3-6H,2H2,1H3;3-5H,2,6H2,1H3;1-4H,(H,10,11);3-4H2,1-2H3;2-4H,1H2;1-2H,(H,4,5);2H,1H2/q;;;;;;;;;+1
• InChIKey: FFHKLORJIVEWIS-UHFFFAOYSA-N
• XLogP: 25.05
• TPSA: 648.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2565.04
LogP ≤ 5	25.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole?

The IUPAC name of 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole (CID 158014547) is 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole.

What is the SMILES notation for 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole?

The canonical SMILES for 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole is C=C([O-])C1=C[CH+]C=[O+]1.CC(=O)c1ccc(C(F)(F)F)cc1C.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(N)cn1.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc(NC(=O)c2cc(-c3ccco3)on2)cn1.CC(c1ccc(C(F)(F)F)cc1C(F)(F)F)n1cc([N+](=O)[O-])cn1.CCOC(=O)C(=O)CC(=O)c1ccco1.CCOC(=O)C(=O)OCC.CCOC(=O)c1cc(-c2ccco2)on1.Cc1cc(C(F)(F)F)ccc1C(C)O.NO.O=C(O)c1cc(-c2ccco2)on1.O=[N+]([O-])c1cn[nH]c1.

What is the InChIKey of 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole?

The InChIKey is FFHKLORJIVEWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N4O3.C13H9F6N3O2.C13H11F6N3.C10H11F3O.C10H9F3O.C10H9NO4.C10H10O5.C8H5NO4.C6H10O4.C6H5O2.C3H3N3O2.H3NO/c1-11(14-5-4-12(20(22,23)24)7-15(14)21(25,26)27)31-10-13(9-28-31)29-19(32)16-8-18(34-30-16)17-3-2-6-33-17;1-7(21-6-9(5-20-21)22(23)24)10-3-2-8(12(14,15)16)4-11(10)13(17,18)19;1-7(22-6-9(20)5-21-22)10-3-2-8(12(14,15)16)4-11(10)13(17,18)19;2*1-6-5-8(10(11,12)13)3-4-9(6)7(2)14;1-2-13-10(12)7-6-9(15-11-7)8-4-3-5-14-8;1-2-14-10(13)8(12)6-7(11)9-4-3-5-15-9;10-8(11)5-4-7(13-9-5)6-2-1-3-12-6;1-3-9-5(7)6(8)10-4-2;1-5(7)6-3-2-4-8-6;7-6(8)3-1-4-5-2-3;1-2/h2-11H,1H3,(H,29,32);2-7H,1H3;2-7H,20H2,1H3;3-5,7,14H,1-2H3;3-5H,1-2H3;3-6H,2H2,1H3;3-5H,2,6H2,1H3;1-4H,(H,10,11);3-4H2,1-2H3;2-4H,1H2;1-2H,(H,4,5);2H,1H2/q;;;;;;;;;+1;;.

What are the key properties of 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole?

1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole has a molecular weight of 2565.04 g/mol, XLogP of 25.05, 26 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-4-nitropyrazole;1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-amine;N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(3H-furan-1-ium-3-ylium-5-yl)ethenolate;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanol;1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone;4-nitro-1H-pyrazole is sourced from PubChem (CID 158014547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).