2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol

C74H81B2Br2ClN18O10S — CID 158113500

About 2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol

2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol (PubChem CID 158113500) has the molecular formula C74H81B2Br2ClN18O10S and a molecular weight of 1631.53 g/mol. Its IUPAC name is 2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol
• PubChem CID: 158113500
• Molecular Formula: C74H81B2Br2ClN18O10S
• Molecular Weight: 1631.53 g/mol
• Exact Mass: 1628.43
• IUPAC Name: 2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol
• SMILES: CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(CCO)c2)OC1(C)C.COc1c(-c2cnn(CCO)c2)cnc2ccc(Br)cc12.COc1c(-c2cnn(CCO)c2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.OCCn1cc(-c2cnc3ccc(Br)cc3c2Cl)cn1
• InChI: InChI=1S/C25H22N8O2S.C15H14BrN3O2.C14H11BrClN3O.C11H19BN2O3.C9H15BN2O2/c1-31-13-17(10-27-31)16-3-6-23-29-30-25(33(23)15-16)36-19-4-5-22-20(9-19)24(35-2)21(12-26-22)18-11-28-32(14-18)7-8-34;1-21-15-12-6-11(16)2-3-14(12)17-8-13(15)10-7-18-19(9-10)4-5-20;15-10-1-2-13-11(5-10)14(16)12(7-17-13)9-6-18-19(8-9)3-4-20;1-10(2)11(3,4)17-12(16-10)9-7-13-14(8-9)5-6-15;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h3-6,9-15,34H,7-8H2,1-2H3;2-3,6-9,20H,4-5H2,1H3;1-2,5-8,20H,3-4H2;7-8,15H,5-6H2,1-4H3;5-6H,1-4H3,(H,11,12)
• InChIKey: FQSLICOVMYOPKB-UHFFFAOYSA-N
• XLogP: 10.95
• TPSA: 322.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1631.53
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol?

The IUPAC name of 2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol (CID 158113500) is 2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol.

What is the SMILES notation for 2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol?

The canonical SMILES for 2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol is CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(CCO)c2)OC1(C)C.COc1c(-c2cnn(CCO)c2)cnc2ccc(Br)cc12.COc1c(-c2cnn(CCO)c2)cnc2ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc12.OCCn1cc(-c2cnc3ccc(Br)cc3c2Cl)cn1.

What is the InChIKey of 2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol?

The InChIKey is FQSLICOVMYOPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2S.C15H14BrN3O2.C14H11BrClN3O.C11H19BN2O3.C9H15BN2O2/c1-31-13-17(10-27-31)16-3-6-23-29-30-25(33(23)15-16)36-19-4-5-22-20(9-19)24(35-2)21(12-26-22)18-11-28-32(14-18)7-8-34;1-21-15-12-6-11(16)2-3-14(12)17-8-13(15)10-7-18-19(9-10)4-5-20;15-10-1-2-13-11(5-10)14(16)12(7-17-13)9-6-18-19(8-9)3-4-20;1-10(2)11(3,4)17-12(16-10)9-7-13-14(8-9)5-6-15;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h3-6,9-15,34H,7-8H2,1-2H3;2-3,6-9,20H,4-5H2,1H3;1-2,5-8,20H,3-4H2;7-8,15H,5-6H2,1-4H3;5-6H,1-4H3,(H,11,12).

What are the key properties of 2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol?

2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol has a molecular weight of 1631.53 g/mol, XLogP of 10.95, 18 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-bromo-4-chloroquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-(6-bromo-4-methoxyquinolin-3-yl)pyrazol-1-yl]ethanol;2-[4-[4-methoxy-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]pyrazol-1-yl]ethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 158113500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).