3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C44H51BBr2Cl2N14O4 — CID 158235556

About 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 158235556) has the molecular formula C44H51BBr2Cl2N14O4 and a molecular weight of 1081.51 g/mol. Its IUPAC name is 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 158235556
• Molecular Formula: C44H51BBr2Cl2N14O4
• Molecular Weight: 1081.51 g/mol
• Exact Mass: 1078.21
• IUPAC Name: 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: Cn1ccc(-c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)n1.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.Cn1ccc(Br)n1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(Br)c2C1
• InChI: InChI=1S/C17H17ClN6O.C13H12BrClN4O.C10H17BN2O2.C4H5BrN2/c1-23-7-5-15(22-23)16-13-10-24(8-6-14(13)20-21-16)17(25)19-12-4-2-3-11(18)9-12;14-12-10-7-19(5-4-11(10)17-18-12)13(20)16-9-3-1-2-8(15)6-9;1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8;1-7-3-2-4(5)6-7/h2-5,7,9H,6,8,10H2,1H3,(H,19,25)(H,20,21);1-3,6H,4-5,7H2,(H,16,20)(H,17,18);6-7H,1-5H3;2-3H,1H3
• InChIKey: GEXKYOWTEHFXJK-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 193.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1081.51
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 158235556) is 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is Cn1ccc(-c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)n1.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.Cn1ccc(Br)n1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(Br)c2C1.

What is the InChIKey of 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is GEXKYOWTEHFXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O.C13H12BrClN4O.C10H17BN2O2.C4H5BrN2/c1-23-7-5-15(22-23)16-13-10-24(8-6-14(13)20-21-16)17(25)19-12-4-2-3-11(18)9-12;14-12-10-7-19(5-4-11(10)17-18-12)13(20)16-9-3-1-2-8(15)6-9;1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8;1-7-3-2-4(5)6-7/h2-5,7,9H,6,8,10H2,1H3,(H,19,25)(H,20,21);1-3,6H,4-5,7H2,(H,16,20)(H,17,18);6-7H,1-5H3;2-3H,1H3.

What are the key properties of 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1081.51 g/mol, XLogP of 8.37, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-bromo-1-methylpyrazole;N-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 158235556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).