tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium

C111H162IN24O23Pd- — CID 161119403

About tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium

tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium (PubChem CID 161119403) has the molecular formula C111H162IN24O23Pd- and a molecular weight of 2433.99 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium.

Molecular Properties

• Compound Name: tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium
• PubChem CID: 161119403
• Molecular Formula: C111H162IN24O23Pd-
• Molecular Weight: 2433.99 g/mol
• Exact Mass: 2432.03
• IUPAC Name: tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium
• SMILES: C.CC(C)(C)OC(=O)N1CCC(O)CC1.COC(=O)c1ccncc1Cc1c(C)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.COC(=O)c1ccncc1I.Cc1cn[nH]c1[N+](=O)[O-].Cc1cnn(C2CCCCC2)c1Cc1cnccc1C(=O)O.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1Cc1cnccc1C(=O)O.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1N.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-].[CH3-].[Pd]
• InChI: InChI=1S/C22H30N4O4.C21H28N4O4.C17H21N3O2.C14H22N4O4.C14H24N4O2.C10H19NO3.C7H6INO2.C4H5N3O2.CH4.CH3.Pd/c1-15-13-24-26(17-7-10-25(11-8-17)21(28)30-22(2,3)4)19(15)12-16-14-23-9-6-18(16)20(27)29-5;1-14-12-23-25(18(14)11-15-13-22-8-5-17(15)19(26)27)16-6-9-24(10-7-16)20(28)29-21(2,3)4;1-12-10-19-20(14-5-3-2-4-6-14)16(12)9-13-11-18-8-7-15(13)17(21)22;1-10-9-15-17(12(10)18(20)21)11-5-7-16(8-6-11)13(19)22-14(2,3)4;1-10-9-16-18(12(10)15)11-5-7-17(8-6-11)13(19)20-14(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-11-7(10)5-2-3-9-4-6(5)8;1-3-2-5-6-4(3)7(8)9;;;/h6,9,13-14,17H,7-8,10-12H2,1-5H3;5,8,12-13,16H,6-7,9-11H2,1-4H3,(H,26,27);7-8,10-11,14H,2-6,9H2,1H3,(H,21,22);9,11H,5-8H2,1-4H3;9,11H,5-8,15H2,1-4H3;8,12H,4-7H2,1-3H3;2-4H,1H3;2H,1H3,(H,5,6);1H4;1H3;/q;;;;;;;;;-1
• InChIKey: BDTHGUMOTJRSER-UHFFFAOYSA-N
• XLogP: 19.94
• TPSA: 576.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 17
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2433.99
LogP ≤ 5	19.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium?

The IUPAC name of tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium (CID 161119403) is tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium.

What is the SMILES notation for tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium?

The canonical SMILES for tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium is C.CC(C)(C)OC(=O)N1CCC(O)CC1.COC(=O)c1ccncc1Cc1c(C)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.COC(=O)c1ccncc1I.Cc1cn[nH]c1[N+](=O)[O-].Cc1cnn(C2CCCCC2)c1Cc1cnccc1C(=O)O.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1Cc1cnccc1C(=O)O.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1N.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-].[CH3-].[Pd].

What is the InChIKey of tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium?

The InChIKey is BDTHGUMOTJRSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4.C21H28N4O4.C17H21N3O2.C14H22N4O4.C14H24N4O2.C10H19NO3.C7H6INO2.C4H5N3O2.CH4.CH3.Pd/c1-15-13-24-26(17-7-10-25(11-8-17)21(28)30-22(2,3)4)19(15)12-16-14-23-9-6-18(16)20(27)29-5;1-14-12-23-25(18(14)11-15-13-22-8-5-17(15)19(26)27)16-6-9-24(10-7-16)20(28)29-21(2,3)4;1-12-10-19-20(14-5-3-2-4-6-14)16(12)9-13-11-18-8-7-15(13)17(21)22;1-10-9-15-17(12(10)18(20)21)11-5-7-16(8-6-11)13(19)22-14(2,3)4;1-10-9-16-18(12(10)15)11-5-7-17(8-6-11)13(19)20-14(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-11-7(10)5-2-3-9-4-6(5)8;1-3-2-5-6-4(3)7(8)9;;;/h6,9,13-14,17H,7-8,10-12H2,1-5H3;5,8,12-13,16H,6-7,9-11H2,1-4H3,(H,26,27);7-8,10-11,14H,2-6,9H2,1H3,(H,21,22);9,11H,5-8H2,1-4H3;9,11H,5-8,15H2,1-4H3;8,12H,4-7H2,1-3H3;2-4H,1H3;2H,1H3,(H,5,6);1H4;1H3;/q;;;;;;;;;-1;.

What are the key properties of tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium?

tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium has a molecular weight of 2433.99 g/mol, XLogP of 19.94, 17 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium is sourced from PubChem (CID 161119403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).