3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C33H41BBr2N12O2 — CID 158983971

About 3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 158983971) has the molecular formula C33H41BBr2N12O2 and a molecular weight of 808.39 g/mol. Its IUPAC name is 3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 158983971
• Molecular Formula: C33H41BBr2N12O2
• Molecular Weight: 808.39 g/mol
• Exact Mass: 806.19
• IUPAC Name: 3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: Cn1cc(-c2ccc(N)nc2)cn1.Cn1cc(-c2cnc(N)c(Br)c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1ccc(Br)cn1
• InChI: InChI=1S/C10H17BN2O2.C9H9BrN4.C9H10N4.C5H5BrN2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-14-5-7(4-13-14)6-2-8(10)9(11)12-3-6;1-13-6-8(5-12-13)7-2-3-9(10)11-4-7;6-4-1-2-5(7)8-3-4/h6-7H,1-5H3;2-5H,1H3,(H2,11,12);2-6H,1H3,(H2,10,11);1-3H,(H2,7,8)
• InChIKey: JPILUGSNKXATDQ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 188.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	808.39
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 158983971) is 3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is Cn1cc(-c2ccc(N)nc2)cn1.Cn1cc(-c2cnc(N)c(Br)c2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.Nc1ccc(Br)cn1.

What is the InChIKey of 3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is JPILUGSNKXATDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O2.C9H9BrN4.C9H10N4.C5H5BrN2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-14-5-7(4-13-14)6-2-8(10)9(11)12-3-6;1-13-6-8(5-12-13)7-2-3-9(10)11-4-7;6-4-1-2-5(7)8-3-4/h6-7H,1-5H3;2-5H,1H3,(H2,11,12);2-6H,1H3,(H2,10,11);1-3H,(H2,7,8).

What are the key properties of 3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 808.39 g/mol, XLogP of 5.04, 3 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(1-methylpyrazol-4-yl)pyridin-2-amine;5-bromopyridin-2-amine;5-(1-methylpyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 158983971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).