2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole

C60H41BrF16N14O11 — CID 157302481

About 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole

2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole (PubChem CID 157302481) has the molecular formula C60H41BrF16N14O11 and a molecular weight of 1517.95 g/mol. Its IUPAC name is 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole.

Molecular Properties

• Compound Name: 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole
• PubChem CID: 157302481
• Molecular Formula: C60H41BrF16N14O11
• Molecular Weight: 1517.95 g/mol
• Exact Mass: 1516.20
• IUPAC Name: 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole
• SMILES: Fc1ccc(C(F)(F)F)c(CBr)c1.Nc1cnn(Cc2cc(F)ccc2C(F)(F)F)c1.O=C(Nc1cnn(Cc2cc(F)ccc2C(F)(F)F)c1)c1cc(-c2ccco2)on1.O=COc1cc(-c2ccco2)on1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(Cc2cc(F)ccc2C(F)(F)F)c1
• InChI: InChI=1S/C19H12F4N4O3.C11H7F4N3O2.C11H9F4N3.C8H5BrF4.C8H5NO4.C3H3N3O2/c20-12-3-4-14(19(21,22)23)11(6-12)9-27-10-13(8-24-27)25-18(28)15-7-17(30-26-15)16-2-1-5-29-16;12-8-1-2-10(11(13,14)15)7(3-8)5-17-6-9(4-16-17)18(19)20;12-8-1-2-10(11(13,14)15)7(3-8)5-18-6-9(16)4-17-18;9-4-5-3-6(10)1-2-7(5)8(11,12)13;10-5-12-8-4-7(13-9-8)6-2-1-3-11-6;7-6(8)3-1-4-5-2-3/h1-8,10H,9H2,(H,25,28);1-4,6H,5H2;1-4,6H,5,16H2;1-3H,4H2;1-5H;1-2H,(H,4,5)
• InChIKey: BCBHWWUIZUOFOC-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 328.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1517.95
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole?

The IUPAC name of 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole (CID 157302481) is 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole.

What is the SMILES notation for 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole?

The canonical SMILES for 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole is Fc1ccc(C(F)(F)F)c(CBr)c1.Nc1cnn(Cc2cc(F)ccc2C(F)(F)F)c1.O=C(Nc1cnn(Cc2cc(F)ccc2C(F)(F)F)c1)c1cc(-c2ccco2)on1.O=COc1cc(-c2ccco2)on1.O=[N+]([O-])c1cn[nH]c1.O=[N+]([O-])c1cnn(Cc2cc(F)ccc2C(F)(F)F)c1.

What is the InChIKey of 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole?

The InChIKey is BCBHWWUIZUOFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O3.C11H7F4N3O2.C11H9F4N3.C8H5BrF4.C8H5NO4.C3H3N3O2/c20-12-3-4-14(19(21,22)23)11(6-12)9-27-10-13(8-24-27)25-18(28)15-7-17(30-26-15)16-2-1-5-29-16;12-8-1-2-10(11(13,14)15)7(3-8)5-17-6-9(4-16-17)18(19)20;12-8-1-2-10(11(13,14)15)7(3-8)5-18-6-9(16)4-17-18;9-4-5-3-6(10)1-2-7(5)8(11,12)13;10-5-12-8-4-7(13-9-8)6-2-1-3-11-6;7-6(8)3-1-4-5-2-3/h1-8,10H,9H2,(H,25,28);1-4,6H,5H2;1-4,6H,5,16H2;1-3H,4H2;1-5H;1-2H,(H,4,5).

What are the key properties of 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole?

2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole has a molecular weight of 1517.95 g/mol, XLogP of 15.79, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-nitropyrazole;1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine;N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl] formate;4-nitro-1H-pyrazole is sourced from PubChem (CID 157302481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).