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

C95H80BrF21N16O27 — CID 159414196

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

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-3-methyl-5-(trifluoromethyl)benzene;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(furan-2-yl)ethanone;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;4-nitro-1H-pyrazole (PubChem CID 159414196) has the molecular formula C95H80BrF21N16O27 and a molecular weight of 2356.63 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-3-methyl-5-(trifluoromethyl)benzene;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(furan-2-yl)ethanone;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;4-nitro-1H-pyrazole.

Molecular Properties

• Compound Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-3-methyl-5-(trifluoromethyl)benzene;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(furan-2-yl)ethanone;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;4-nitro-1H-pyrazole
• PubChem CID: 159414196
• Molecular Formula: C95H80BrF21N16O27
• Molecular Weight: 2356.63 g/mol
• Exact Mass: 2354.42
• IUPAC Name: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-3-methyl-5-(trifluoromethyl)benzene;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(furan-2-yl)ethanone;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;4-nitro-1H-pyrazole
• SMILES: CC(=O)c1ccco1.CCOC(=O)C(=O)CC(=O)c1ccco1.CCOC(=O)C(=O)OCC.CCOC(=O)c1cc(-c2ccco2)on1.Cc1cc(Br)cc(C(F)(F)F)c1.NO.Nc1cnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.O=C(Nc1cnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1cc(-c2ccco2)on1.O=C(O)c1cc(-c2ccco2)on1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C20H12F6N4O3.C12H7F6N3O2.C12H9F6N3.C10H9NO4.C10H10O5.C8H6BrF3.C8H5NO4.C6H10O4.C6H6O2.C3H3N3O2.H3NO/c21-19(22,23)12-4-11(5-13(6-12)20(24,25)26)9-30-10-14(8-27-30)28-18(31)15-7-17(33-29-15)16-2-1-3-32-16;13-11(14,15)8-1-7(2-9(3-8)12(16,17)18)5-20-6-10(4-19-20)21(22)23;13-11(14,15)8-1-7(2-9(3-8)12(16,17)18)5-21-6-10(19)4-20-21;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;1-5-2-6(8(10,11)12)4-7(9)3-5;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/h1-8,10H,9H2,(H,28,31);1-4,6H,5H2;1-4,6H,5,19H2;3-6H,2H2,1H3;3-5H,2,6H2,1H3;2-4H,1H3;1-4H,(H,10,11);3-4H2,1-2H3;2-4H,1H3;1-2H,(H,4,5);2H,1H2
• InChIKey: LOYNCHXOWJXNIG-UHFFFAOYSA-N
• XLogP: 22.65
• TPSA: 607.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2356.63
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-3-methyl-5-(trifluoromethyl)benzene;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(furan-2-yl)ethanone;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;4-nitro-1H-pyrazole (CID 159414196) is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-3-methyl-5-(trifluoromethyl)benzene;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(furan-2-yl)ethanone;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;4-nitro-1H-pyrazole.

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

The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-3-methyl-5-(trifluoromethyl)benzene;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(furan-2-yl)ethanone;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;4-nitro-1H-pyrazole is CC(=O)c1ccco1.CCOC(=O)C(=O)CC(=O)c1ccco1.CCOC(=O)C(=O)OCC.CCOC(=O)c1cc(-c2ccco2)on1.Cc1cc(Br)cc(C(F)(F)F)c1.NO.Nc1cnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.O=C(Nc1cnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1)c1cc(-c2ccco2)on1.O=C(O)c1cc(-c2ccco2)on1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.

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

The InChIKey is LOYNCHXOWJXNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N4O3.C12H7F6N3O2.C12H9F6N3.C10H9NO4.C10H10O5.C8H6BrF3.C8H5NO4.C6H10O4.C6H6O2.C3H3N3O2.H3NO/c21-19(22,23)12-4-11(5-13(6-12)20(24,25)26)9-30-10-14(8-27-30)28-18(31)15-7-17(33-29-15)16-2-1-3-32-16;13-11(14,15)8-1-7(2-9(3-8)12(16,17)18)5-20-6-10(4-19-20)21(22)23;13-11(14,15)8-1-7(2-9(3-8)12(16,17)18)5-21-6-10(19)4-20-21;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;1-5-2-6(8(10,11)12)4-7(9)3-5;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/h1-8,10H,9H2,(H,28,31);1-4,6H,5H2;1-4,6H,5,19H2;3-6H,2H2,1H3;3-5H,2,6H2,1H3;2-4H,1H3;1-4H,(H,10,11);3-4H2,1-2H3;2-4H,1H3;1-2H,(H,4,5);2H,1H2.

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

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-3-methyl-5-(trifluoromethyl)benzene;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(furan-2-yl)ethanone;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;4-nitro-1H-pyrazole has a molecular weight of 2356.63 g/mol, XLogP of 22.65, 24 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-3-methyl-5-(trifluoromethyl)benzene;diethyl oxalate;ethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;1-(furan-2-yl)ethanone;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;hydroxylamine;4-nitro-1H-pyrazole is sourced from PubChem (CID 159414196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).