3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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

C71H94N16O8 — CID 159530833

About 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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 (PubChem CID 159530833) has the molecular formula C71H94N16O8 and a molecular weight of 1299.64 g/mol. Its IUPAC name is 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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.

Molecular Properties

• Compound Name: 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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
• PubChem CID: 159530833
• Molecular Formula: C71H94N16O8
• Molecular Weight: 1299.64 g/mol
• Exact Mass: 1298.74
• IUPAC Name: 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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
• SMILES: CCN1CCC(n2cc(Cc3cnccc3C(=O)O)c(C)n2)CC1.CCN1CCC(n2cc(Cc3cnccc3C(=O)OC)c(C)n2)CC1.COC(=O)c1ccncc1Cc1cn(C2CCNCC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCNCC2)c1C
• InChI: InChI=1S/C19H26N4O2.C18H24N4O2.2C17H22N4O2/c1-4-22-9-6-17(7-10-22)23-13-16(14(2)21-23)11-15-12-20-8-5-18(15)19(24)25-3;1-3-21-8-5-16(6-9-21)22-12-15(13(2)20-22)10-14-11-19-7-4-17(14)18(23)24;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/h5,8,12-13,17H,4,6-7,9-11H2,1-3H3;4,7,11-12,16H,3,5-6,8-10H2,1-2H3,(H,23,24);2*5,8,10-11,15,18H,3-4,6-7,9H2,1-2H3
• InChIKey: MCYXALGWOVXRAU-UHFFFAOYSA-N
• XLogP: 8.93
• TPSA: 269.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1299.64
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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?

The IUPAC name of 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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 (CID 159530833) is 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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.

What is the SMILES notation for 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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?

The canonical SMILES for 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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 is CCN1CCC(n2cc(Cc3cnccc3C(=O)O)c(C)n2)CC1.CCN1CCC(n2cc(Cc3cnccc3C(=O)OC)c(C)n2)CC1.COC(=O)c1ccncc1Cc1cn(C2CCNCC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCNCC2)c1C.

What is the InChIKey of 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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?

The InChIKey is MCYXALGWOVXRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.C18H24N4O2.2C17H22N4O2/c1-4-22-9-6-17(7-10-22)23-13-16(14(2)21-23)11-15-12-20-8-5-18(15)19(24)25-3;1-3-21-8-5-16(6-9-21)22-12-15(13(2)20-22)10-14-11-19-7-4-17(14)18(23)24;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/h5,8,12-13,17H,4,6-7,9-11H2,1-3H3;4,7,11-12,16H,3,5-6,8-10H2,1-2H3,(H,23,24);2*5,8,10-11,15,18H,3-4,6-7,9H2,1-2H3.

What are the key properties of 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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 has a molecular weight of 1299.64 g/mol, XLogP of 8.93, 18 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;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 is sourced from PubChem (CID 159530833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).