3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C135H125Br8Cl2N40O3S3+3 — CID 158935661

About 3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158935661) has the molecular formula C135H125Br8Cl2N40O3S3+3 and a molecular weight of 3162.10 g/mol. Its IUPAC name is 3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158935661
• Molecular Formula: C135H125Br8Cl2N40O3S3+3
• Molecular Weight: 3162.10 g/mol
• Exact Mass: 3151.28
• IUPAC Name: 3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Brc1cnn2c(Nc3ccccn3)cc(CC3CCCCC3)nc12.Brc1cnn2c(Nc3cccnc3)cc(-c3cccs3)nc12.Brc1cnn2c(Nc3cccnc3)cc(CC3CCCCC3)nc12.Brc1cnn2c(Nc3ccncc3)cc(CC3CCCCC3)nc12.Clc1cccc(Cl)c1Cc1cc(Nc2ccccn2)n2ncc(Br)c2n1.O[n+]1ccc(Nc2cc(-c3cccs3)nc3c(Br)cnn23)cc1.O[n+]1ccc(Nc2cc(CC3CCCCC3)nc3c(Br)cnn23)cc1.O[n+]1cccc(Nc2cc(-c3cccs3)nc3c(Br)cnn23)c1
• InChI: InChI=1S/C18H12BrCl2N5.C18H20BrN5O.3C18H20BrN5.C15H11BrN5OS.C15H10BrN5OS.C15H10BrN5S/c19-13-10-23-26-17(25-16-6-1-2-7-22-16)9-11(24-18(13)26)8-12-14(20)4-3-5-15(12)21;19-16-12-20-24-17(21-14-6-8-23(25)9-7-14)11-15(22-18(16)24)10-13-4-2-1-3-5-13;19-15-12-21-24-17(23-16-8-4-5-9-20-16)11-14(22-18(15)24)10-13-6-2-1-3-7-13;19-16-12-21-24-17(22-14-7-4-8-20-11-14)10-15(23-18(16)24)9-13-5-2-1-3-6-13;19-16-12-21-24-17(22-14-6-8-20-9-7-14)11-15(23-18(16)24)10-13-4-2-1-3-5-13;16-11-8-17-21-14(18-10-3-1-5-20(22)9-10)7-12(19-15(11)21)13-4-2-6-23-13;16-11-9-17-21-14(18-10-3-5-20(22)6-4-10)8-12(19-15(11)21)13-2-1-7-23-13;16-11-9-18-21-14(19-10-3-1-5-17-8-10)7-12(20-15(11)21)13-4-2-6-22-13/h1-7,9-10H,8H2,(H,22,25);6-9,11-13,25H,1-5,10H2;4-5,8-9,11-13H,1-3,6-7,10H2,(H,20,23);4,7-8,10-13,22H,1-3,5-6,9H2;6-9,11-13H,1-5,10H2,(H,20,22);1-9,18,22H;1-9,22H;1-9,19H/q;;;;;+1;;/p+2
• InChIKey: QFYVZJLEJMLKOB-UHFFFAOYSA-P
• XLogP: 35.01
• TPSA: 474.54 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 43
• Rotatable Bonds: 29
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3162.10
LogP ≤ 5	35.01
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158935661) is 3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(Nc3ccccn3)cc(CC3CCCCC3)nc12.Brc1cnn2c(Nc3cccnc3)cc(-c3cccs3)nc12.Brc1cnn2c(Nc3cccnc3)cc(CC3CCCCC3)nc12.Brc1cnn2c(Nc3ccncc3)cc(CC3CCCCC3)nc12.Clc1cccc(Cl)c1Cc1cc(Nc2ccccn2)n2ncc(Br)c2n1.O[n+]1ccc(Nc2cc(-c3cccs3)nc3c(Br)cnn23)cc1.O[n+]1ccc(Nc2cc(CC3CCCCC3)nc3c(Br)cnn23)cc1.O[n+]1cccc(Nc2cc(-c3cccs3)nc3c(Br)cnn23)c1.

What is the InChIKey of 3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is QFYVZJLEJMLKOB-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H12BrCl2N5.C18H20BrN5O.3C18H20BrN5.C15H11BrN5OS.C15H10BrN5OS.C15H10BrN5S/c19-13-10-23-26-17(25-16-6-1-2-7-22-16)9-11(24-18(13)26)8-12-14(20)4-3-5-15(12)21;19-16-12-20-24-17(21-14-6-8-23(25)9-7-14)11-15(22-18(16)24)10-13-4-2-1-3-5-13;19-15-12-21-24-17(23-16-8-4-5-9-20-16)11-14(22-18(15)24)10-13-6-2-1-3-7-13;19-16-12-21-24-17(22-14-7-4-8-20-11-14)10-15(23-18(16)24)9-13-5-2-1-3-6-13;19-16-12-21-24-17(22-14-6-8-20-9-7-14)11-15(23-18(16)24)10-13-4-2-1-3-5-13;16-11-8-17-21-14(18-10-3-1-5-20(22)9-10)7-12(19-15(11)21)13-4-2-6-23-13;16-11-9-17-21-14(18-10-3-5-20(22)6-4-10)8-12(19-15(11)21)13-2-1-7-23-13;16-11-9-18-21-14(19-10-3-1-5-17-8-10)7-12(20-15(11)21)13-4-2-6-22-13/h1-7,9-10H,8H2,(H,22,25);6-9,11-13,25H,1-5,10H2;4-5,8-9,11-13H,1-3,6-7,10H2,(H,20,23);4,7-8,10-13,22H,1-3,5-6,9H2;6-9,11-13H,1-5,10H2,(H,20,22);1-9,18,22H;1-9,22H;1-9,19H/q;;;;;+1;;/p+2.

What are the key properties of 3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 3162.10 g/mol, XLogP of 35.01, 29 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(cyclohexylmethyl)-N-(1-hydroxypyridin-1-ium-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(cyclohexylmethyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-[(2,6-dichlorophenyl)methyl]-N-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-3-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(1-hydroxypyridin-1-ium-4-yl)-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-pyridin-3-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158935661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).