4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide

C82H88BBr2F4N21O10 — CID 165058650

About 4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide

4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 165058650) has the molecular formula C82H88BBr2F4N21O10 and a molecular weight of 1774.35 g/mol. Its IUPAC name is 4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 165058650
• Molecular Formula: C82H88BBr2F4N21O10
• Molecular Weight: 1774.35 g/mol
• Exact Mass: 1771.54
• IUPAC Name: 4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide
• SMILES: COC(=O)c1cc(-c2cnn(C)c2)c(C)cc1F.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1F.COC(=O)c1cc(Br)c(C)cc1F.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C)c1.Cn1cc(Br)cn1
• InChI: InChI=1S/C21H21FN8O.C20H21N9O.C15H20BFO4.C13H13FN2O2.C9H8BrFO2.C4H5BrN2/c1-12(2)30-20(26-27-28-30)18-6-5-7-19(24-18)25-21(31)16-9-15(13(3)8-17(16)22)14-10-23-29(4)11-14;1-12(2)29-19(25-26-27-29)16-6-5-7-18(23-16)24-20(30)17-8-15(13(3)9-21-17)14-10-22-28(4)11-14;1-9-7-12(17)10(13(18)19-6)8-11(9)16-20-14(2,3)15(4,5)21-16;1-8-4-12(14)11(13(17)18-3)5-10(8)9-6-15-16(2)7-9;1-5-3-8(11)6(4-7(5)10)9(12)13-2;1-7-3-4(5)2-6-7/h5-12H,1-4H3,(H,24,25,31);5-12H,1-4H3,(H,23,24,30);7-8H,1-6H3;4-7H,1-3H3;3-4H,1-2H3;2-3H,1H3
• InChIKey: QVNJOMPCLXGSCZ-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 352.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1774.35
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide?

The IUPAC name of 4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide (CID 165058650) is 4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide?

The canonical SMILES for 4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide is COC(=O)c1cc(-c2cnn(C)c2)c(C)cc1F.COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1F.COC(=O)c1cc(Br)c(C)cc1F.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C)c1.Cn1cc(Br)cn1.

What is the InChIKey of 4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide?

The InChIKey is QVNJOMPCLXGSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8O.C20H21N9O.C15H20BFO4.C13H13FN2O2.C9H8BrFO2.C4H5BrN2/c1-12(2)30-20(26-27-28-30)18-6-5-7-19(24-18)25-21(31)16-9-15(13(3)8-17(16)22)14-10-23-29(4)11-14;1-12(2)29-19(25-26-27-29)16-6-5-7-18(23-16)24-20(30)17-8-15(13(3)9-21-17)14-10-22-28(4)11-14;1-9-7-12(17)10(13(18)19-6)8-11(9)16-20-14(2,3)15(4,5)21-16;1-8-4-12(14)11(13(17)18-3)5-10(8)9-6-15-16(2)7-9;1-5-3-8(11)6(4-7(5)10)9(12)13-2;1-7-3-4(5)2-6-7/h5-12H,1-4H3,(H,24,25,31);5-12H,1-4H3,(H,23,24,30);7-8H,1-6H3;4-7H,1-3H3;3-4H,1-2H3;2-3H,1H3.

What are the key properties of 4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide?

4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 1774.35 g/mol, XLogP of 14.50, 15 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-methylpyrazole;2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;methyl 5-bromo-2-fluoro-4-methylbenzoate;methyl 2-fluoro-4-methyl-5-(1-methylpyrazol-4-yl)benzoate;methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate;5-methyl-4-(1-methylpyrazol-4-yl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 165058650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).