3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C91H74Br5Cl2N25O2S+2 — CID 157189597

About 3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157189597) has the molecular formula C91H74Br5Cl2N25O2S+2 and a molecular weight of 2052.26 g/mol. Its IUPAC name is 3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 157189597
• Molecular Formula: C91H74Br5Cl2N25O2S+2
• Molecular Weight: 2052.26 g/mol
• Exact Mass: 2045.15
• IUPAC Name: 3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Brc1cnn2c(NCc3cccnc3)cc(-c3cccs3)nc12.CO[n+]1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CO[n+]1cccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)c1.Cc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1.Clc1cccc(-c2cc(NCc3cccnc3)n3ncc(Br)c3n2)c1Cl
• InChI: InChI=1S/2C19H17BrN5O.C19H16BrN5.C18H12BrCl2N5.C16H12BrN5S/c1-26-24-9-5-6-14(13-24)11-21-18-10-17(15-7-3-2-4-8-15)23-19-16(20)12-22-25(18)19;1-26-24-9-7-14(8-10-24)12-21-18-11-17(15-5-3-2-4-6-15)23-19-16(20)13-22-25(18)19;1-13-5-2-3-7-15(13)17-9-18(22-11-14-6-4-8-21-10-14)25-19(24-17)16(20)12-23-25;19-13-10-24-26-16(23-9-11-3-2-6-22-8-11)7-15(25-18(13)26)12-4-1-5-14(20)17(12)21;17-12-10-20-22-15(19-9-11-3-1-5-18-8-11)7-13(21-16(12)22)14-4-2-6-23-14/h2-10,12-13,21H,11H2,1H3;2-11,13,21H,12H2,1H3;2-10,12,22H,11H2,1H3;1-8,10,23H,9H2;1-8,10,19H,9H2/q2*+1
• InChIKey: APNQFQZQQFSOIK-UHFFFAOYSA-N
• XLogP: 20.41
• TPSA: 275.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2052.26
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 157189597) is 3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(NCc3cccnc3)cc(-c3cccs3)nc12.CO[n+]1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1.CO[n+]1cccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)c1.Cc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1.Clc1cccc(-c2cc(NCc3cccnc3)n3ncc(Br)c3n2)c1Cl.

What is the InChIKey of 3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is APNQFQZQQFSOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17BrN5O.C19H16BrN5.C18H12BrCl2N5.C16H12BrN5S/c1-26-24-9-5-6-14(13-24)11-21-18-10-17(15-7-3-2-4-8-15)23-19-16(20)12-22-25(18)19;1-26-24-9-7-14(8-10-24)12-21-18-11-17(15-5-3-2-4-6-15)23-19-16(20)13-22-25(18)19;1-13-5-2-3-7-15(13)17-9-18(22-11-14-6-4-8-21-10-14)25-19(24-17)16(20)12-23-25;19-13-10-24-26-16(23-9-11-3-2-6-22-8-11)7-15(25-18(13)26)12-4-1-5-14(20)17(12)21;17-12-10-20-22-15(19-9-11-3-1-5-18-8-11)7-13(21-16(12)22)14-4-2-6-23-14/h2-10,12-13,21H,11H2,1H3;2-11,13,21H,12H2,1H3;2-10,12,22H,11H2,1H3;1-8,10,23H,9H2;1-8,10,19H,9H2/q2*+1;;;.

What are the key properties of 3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2052.26 g/mol, XLogP of 20.41, 22 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methoxypyridin-1-ium-4-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157189597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).