1-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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

C92H74BrF21N16O27 — CID 160823234

About 1-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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 160823234) has the molecular formula C92H74BrF21N16O27 and a molecular weight of 2314.55 g/mol. Its IUPAC name is 1-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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: 160823234
• Molecular Formula: C92H74BrF21N16O27
• Molecular Weight: 2314.55 g/mol
• Exact Mass: 2312.38
• IUPAC Name: 1-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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(C(F)(F)F)ccc1Br.NO.Nc1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1.O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cc(-c2ccco2)on1.O=C(O)c1cc(-c2ccco2)on1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1
• InChI: InChI=1S/C19H10F6N4O3.C11H5F6N3O2.C11H7F6N3.C10H9NO4.C10H10O5.C8H6BrF3.C8H5NO4.C6H10O4.C6H6O2.C3H3N3O2.H3NO/c20-18(21,22)10-3-4-14(12(6-10)19(23,24)25)29-9-11(8-26-29)27-17(30)13-7-16(32-28-13)15-2-1-5-31-15;12-10(13,14)6-1-2-9(8(3-6)11(15,16)17)19-5-7(4-18-19)20(21)22;12-10(13,14)6-1-2-9(8(3-6)11(15,16)17)20-5-7(18)4-19-20;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;1-5-4-6(8(10,11)12)2-3-7(5)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/h1-9H,(H,27,30);1-5H;1-5H,18H2;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: SFUYORLGEWFCCL-UHFFFAOYSA-N
• XLogP: 22.47
• TPSA: 607.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2314.55
LogP ≤ 5	22.47
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-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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 160823234) is 1-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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(C(F)(F)F)ccc1Br.NO.Nc1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1.O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1)c1cc(-c2ccco2)on1.O=C(O)c1cc(-c2ccco2)on1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1.

What is the InChIKey of 1-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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 SFUYORLGEWFCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F6N4O3.C11H5F6N3O2.C11H7F6N3.C10H9NO4.C10H10O5.C8H6BrF3.C8H5NO4.C6H10O4.C6H6O2.C3H3N3O2.H3NO/c20-18(21,22)10-3-4-14(12(6-10)19(23,24)25)29-9-11(8-26-29)27-17(30)13-7-16(32-28-13)15-2-1-5-31-15;12-10(13,14)6-1-2-9(8(3-6)11(15,16)17)19-5-7(4-18-19)20(21)22;12-10(13,14)6-1-2-9(8(3-6)11(15,16)17)20-5-7(18)4-19-20;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;1-5-4-6(8(10,11)12)2-3-7(5)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/h1-9H,(H,27,30);1-5H;1-5H,18H2;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-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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 2314.55 g/mol, XLogP of 22.47, 21 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,4-bis(trifluoromethyl)phenyl]-4-nitropyrazole;1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-amine;N-[1-[2,4-bis(trifluoromethyl)phenyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;1-bromo-2-methyl-4-(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 160823234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).