bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid

C90H102Br2N16O8 — CID 158974062

About bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid

bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 158974062) has the molecular formula C90H102Br2N16O8 and a molecular weight of 1695.72 g/mol. Its IUPAC name is bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
• PubChem CID: 158974062
• Molecular Formula: C90H102Br2N16O8
• Molecular Weight: 1695.72 g/mol
• Exact Mass: 1692.64
• IUPAC Name: bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
• SMILES: Brc1ccccc1.Brc1ccccc1.COC(=O)c1ccncc1Cc1cn(C2CCNCC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCNCC2)c1C.Cc1c(Cc2cnccc2C(=O)O)cnn1C1CCN(c2ccccc2)CC1.Cc1nn(C2CCN(c3ccccc3)CC2)cc1Cc1cnccc1C(=O)O
• InChI: InChI=1S/2C22H24N4O2.2C17H22N4O2.2C6H5Br/c1-16-17(13-18-14-23-10-7-21(18)22(27)28)15-24-26(16)20-8-11-25(12-9-20)19-5-3-2-4-6-19;1-16-18(13-17-14-23-10-7-21(17)22(27)28)15-26(24-16)20-8-11-25(12-9-20)19-5-3-2-4-6-19;1-12-13(11-20-21(12)15-3-6-18-7-4-15)9-14-10-19-8-5-16(14)17(22)23-2;1-12-14(11-21(20-12)15-3-6-18-7-4-15)9-13-10-19-8-5-16(13)17(22)23-2;2*7-6-4-2-1-3-5-6/h2*2-7,10,14-15,20H,8-9,11-13H2,1H3,(H,27,28);2*5,8,10-11,15,18H,3-4,6-7,9H2,1-2H3;2*1-5H
• InChIKey: JODWPTNEYPITJN-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 280.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.72
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid?

The IUPAC name of bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid (CID 158974062) is bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid.

What is the SMILES notation for bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid?

The canonical SMILES for bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid is Brc1ccccc1.Brc1ccccc1.COC(=O)c1ccncc1Cc1cn(C2CCNCC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCNCC2)c1C.Cc1c(Cc2cnccc2C(=O)O)cnn1C1CCN(c2ccccc2)CC1.Cc1nn(C2CCN(c3ccccc3)CC2)cc1Cc1cnccc1C(=O)O.

What is the InChIKey of bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid?

The InChIKey is JODWPTNEYPITJN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H24N4O2.2C17H22N4O2.2C6H5Br/c1-16-17(13-18-14-23-10-7-21(18)22(27)28)15-24-26(16)20-8-11-25(12-9-20)19-5-3-2-4-6-19;1-16-18(13-17-14-23-10-7-21(17)22(27)28)15-26(24-16)20-8-11-25(12-9-20)19-5-3-2-4-6-19;1-12-13(11-20-21(12)15-3-6-18-7-4-15)9-14-10-19-8-5-16(14)17(22)23-2;1-12-14(11-21(20-12)15-3-6-18-7-4-15)9-13-10-19-8-5-16(13)17(22)23-2;2*7-6-4-2-1-3-5-6/h2*2-7,10,14-15,20H,8-9,11-13H2,1H3,(H,27,28);2*5,8,10-11,15,18H,3-4,6-7,9H2,1-2H3;2*1-5H.

What are the key properties of bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid?

bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 1695.72 g/mol, XLogP of 16.11, 18 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bromobenzene;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158974062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).