3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine

C48H51BBr2Cl2N12O6 — CID 164991249

About 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine

3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine (PubChem CID 164991249) has the molecular formula C48H51BBr2Cl2N12O6 and a molecular weight of 1133.54 g/mol. Its IUPAC name is 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine.

Molecular Properties

• Compound Name: 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine
• PubChem CID: 164991249
• Molecular Formula: C48H51BBr2Cl2N12O6
• Molecular Weight: 1133.54 g/mol
• Exact Mass: 1130.19
• IUPAC Name: 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine
• SMILES: C1CCNCC1.O=C(O)c1cnc2c(Br)cnn2c1.O=C(c1cnc2c(-c3cccc(Cl)c3)cnn2c1)N1CCCCC1.O=C(c1cnc2c(Br)cnn2c1)N1CCCCC1.OB(O)c1cccc(Cl)c1
• InChI: InChI=1S/C18H17ClN4O.C12H13BrN4O.C7H4BrN3O2.C6H6BClO2.C5H11N/c19-15-6-4-5-13(9-15)16-11-21-23-12-14(10-20-17(16)23)18(24)22-7-2-1-3-8-22;13-10-7-15-17-8-9(6-14-11(10)17)12(18)16-4-2-1-3-5-16;8-5-2-10-11-3-4(7(12)13)1-9-6(5)11;8-6-3-1-2-5(4-6)7(9)10;1-2-4-6-5-3-1/h4-6,9-12H,1-3,7-8H2;6-8H,1-5H2;1-3H,(H,12,13);1-4,9-10H;6H,1-5H2
• InChIKey: GWQMDFPWZFWJHY-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 220.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1133.54
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine?

The IUPAC name of 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine (CID 164991249) is 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine.

What is the SMILES notation for 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine?

The canonical SMILES for 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine is C1CCNCC1.O=C(O)c1cnc2c(Br)cnn2c1.O=C(c1cnc2c(-c3cccc(Cl)c3)cnn2c1)N1CCCCC1.O=C(c1cnc2c(Br)cnn2c1)N1CCCCC1.OB(O)c1cccc(Cl)c1.

What is the InChIKey of 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine?

The InChIKey is GWQMDFPWZFWJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O.C12H13BrN4O.C7H4BrN3O2.C6H6BClO2.C5H11N/c19-15-6-4-5-13(9-15)16-11-21-23-12-14(10-20-17(16)23)18(24)22-7-2-1-3-8-22;13-10-7-15-17-8-9(6-14-11(10)17)12(18)16-4-2-1-3-5-16;8-5-2-10-11-3-4(7(12)13)1-9-6(5)11;8-6-3-1-2-5(4-6)7(9)10;1-2-4-6-5-3-1/h4-6,9-12H,1-3,7-8H2;6-8H,1-5H2;1-3H,(H,12,13);1-4,9-10H;6H,1-5H2.

What are the key properties of 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine?

3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine has a molecular weight of 1133.54 g/mol, XLogP of 7.76, 5 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid;(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-piperidin-1-ylmethanone;(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;piperidine is sourced from PubChem (CID 164991249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).