2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C82H121B3Cl2N18O6 — CID 161342767

About 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 161342767) has the molecular formula C82H121B3Cl2N18O6 and a molecular weight of 1558.33 g/mol. Its IUPAC name is 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 161342767
• Molecular Formula: C82H121B3Cl2N18O6
• Molecular Weight: 1558.33 g/mol
• Exact Mass: 1556.94
• IUPAC Name: 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: Cc1[nH]ncc1B1OC(C)(C)C(C)(C)O1.Cc1c(-c2cnc3ccc(Cl)nc3c2)cnn1CCCN1CCCC1.Cc1c(B2OC(C)(C)C(C)(C)O2)cnn1CCCN1CCCC1.Cc1nn(CCCN2CCCC2)cc1-c1cnc2ccc(Cl)nc2c1.Cc1nn(CCCN2CCCC2)cc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/2C19H22ClN5.2C17H30BN3O2.C10H17BN2O2/c1-14-16(13-25(23-14)10-4-9-24-7-2-3-8-24)15-11-18-17(21-12-15)5-6-19(20)22-18;1-14-16(13-22-25(14)10-4-9-24-7-2-3-8-24)15-11-18-17(21-12-15)5-6-19(20)23-18;1-14-15(18-22-16(2,3)17(4,5)23-18)13-21(19-14)12-8-11-20-9-6-7-10-20;1-14-15(18-22-16(2,3)17(4,5)23-18)13-19-21(14)12-8-11-20-9-6-7-10-20;1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11/h2*5-6,11-13H,2-4,7-10H2,1H3;2*13H,6-12H2,1-5H3;6H,1-5H3,(H,12,13)
• InChIKey: VMWWCFAIXFQCOT-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 219.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1558.33
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 161342767) is 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is Cc1[nH]ncc1B1OC(C)(C)C(C)(C)O1.Cc1c(-c2cnc3ccc(Cl)nc3c2)cnn1CCCN1CCCC1.Cc1c(B2OC(C)(C)C(C)(C)O2)cnn1CCCN1CCCC1.Cc1nn(CCCN2CCCC2)cc1-c1cnc2ccc(Cl)nc2c1.Cc1nn(CCCN2CCCC2)cc1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is VMWWCFAIXFQCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H22ClN5.2C17H30BN3O2.C10H17BN2O2/c1-14-16(13-25(23-14)10-4-9-24-7-2-3-8-24)15-11-18-17(21-12-15)5-6-19(20)22-18;1-14-16(13-22-25(14)10-4-9-24-7-2-3-8-24)15-11-18-17(21-12-15)5-6-19(20)23-18;1-14-15(18-22-16(2,3)17(4,5)23-18)13-21(19-14)12-8-11-20-9-6-7-10-20;1-14-15(18-22-16(2,3)17(4,5)23-18)13-19-21(14)12-8-11-20-9-6-7-10-20;1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11/h2*5-6,11-13H,2-4,7-10H2,1H3;2*13H,6-12H2,1-5H3;6H,1-5H3,(H,12,13).

What are the key properties of 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 1558.33 g/mol, XLogP of 12.85, 21 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-[3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;2-chloro-7-[5-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridine;3-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-1-(3-pyrrolidin-1-ylpropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 161342767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).