tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium

C134H184Br2IN24O16Pd- — CID 158168536

About tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium

tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium (PubChem CID 158168536) has the molecular formula C134H184Br2IN24O16Pd- and a molecular weight of 2780.23 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium.

Molecular Properties

• Compound Name: tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium
• PubChem CID: 158168536
• Molecular Formula: C134H184Br2IN24O16Pd-
• Molecular Weight: 2780.23 g/mol
• Exact Mass: 2776.08
• IUPAC Name: tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium
• SMILES: C.CC(C)(C)OC(=O)N1CCC(n2cc(Br)cn2)CC1.CCc1c(Br)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.CCc1c(Cc2cnccc2C(=O)OC)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.CCc1c(Cc2cnccc2C(=O)OC)cnn1C1CCNCC1.CCc1c(N)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.CCc1c(N=C(c2ccccc2)c2ccccc2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.COC(=O)c1ccncc1I.[CH3-].[H]N=C(c1ccccc1)c1ccccc1.[Pd]
• InChI: InChI=1S/C28H34N4O2.C23H32N4O4.C18H24N4O2.C15H24BrN3O2.C15H26N4O2.C13H20BrN3O2.C13H11N.C7H6INO2.CH4.CH3.Pd/c1-5-25-24(30-26(21-12-8-6-9-13-21)22-14-10-7-11-15-22)20-29-32(25)23-16-18-31(19-17-23)27(33)34-28(2,3)4;1-6-20-17(13-16-14-24-10-7-19(16)21(28)30-5)15-25-27(20)18-8-11-26(12-9-18)22(29)31-23(2,3)4;1-3-17-14(12-21-22(17)15-4-7-19-8-5-15)10-13-11-20-9-6-16(13)18(23)24-2;2*1-5-13-12(16)10-17-19(13)11-6-8-18(9-7-11)14(20)21-15(2,3)4;1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-11-7(10)5-2-3-9-4-6(5)8;;;/h6-15,20,23H,5,16-19H2,1-4H3;7,10,14-15,18H,6,8-9,11-13H2,1-5H3;6,9,11-12,15,19H,3-5,7-8,10H2,1-2H3;10-11H,5-9H2,1-4H3;10-11H,5-9,16H2,1-4H3;8-9,11H,4-7H2,1-3H3;1-10,14H;2-4H,1H3;1H4;1H3;/q;;;;;;;;;-1
• InChIKey: SHJFGXLAMVNNMA-UHFFFAOYSA-N
• XLogP: 27.38
• TPSA: 446.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 23
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2780.23
LogP ≤ 5	27.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium?

The IUPAC name of tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium (CID 158168536) is tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium.

What is the SMILES notation for tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium?

The canonical SMILES for tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium is C.CC(C)(C)OC(=O)N1CCC(n2cc(Br)cn2)CC1.CCc1c(Br)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.CCc1c(Cc2cnccc2C(=O)OC)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.CCc1c(Cc2cnccc2C(=O)OC)cnn1C1CCNCC1.CCc1c(N)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.CCc1c(N=C(c2ccccc2)c2ccccc2)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.COC(=O)c1ccncc1I.[CH3-].[H]N=C(c1ccccc1)c1ccccc1.[Pd].

What is the InChIKey of tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium?

The InChIKey is SHJFGXLAMVNNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2.C23H32N4O4.C18H24N4O2.C15H24BrN3O2.C15H26N4O2.C13H20BrN3O2.C13H11N.C7H6INO2.CH4.CH3.Pd/c1-5-25-24(30-26(21-12-8-6-9-13-21)22-14-10-7-11-15-22)20-29-32(25)23-16-18-31(19-17-23)27(33)34-28(2,3)4;1-6-20-17(13-16-14-24-10-7-19(16)21(28)30-5)15-25-27(20)18-8-11-26(12-9-18)22(29)31-23(2,3)4;1-3-17-14(12-21-22(17)15-4-7-19-8-5-15)10-13-11-20-9-6-16(13)18(23)24-2;2*1-5-13-12(16)10-17-19(13)11-6-8-18(9-7-11)14(20)21-15(2,3)4;1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-11-7(10)5-2-3-9-4-6(5)8;;;/h6-15,20,23H,5,16-19H2,1-4H3;7,10,14-15,18H,6,8-9,11-13H2,1-5H3;6,9,11-12,15,19H,3-5,7-8,10H2,1-2H3;10-11H,5-9H2,1-4H3;10-11H,5-9,16H2,1-4H3;8-9,11H,4-7H2,1-3H3;1-10,14H;2-4H,1H3;1H4;1H3;/q;;;;;;;;;-1;.

What are the key properties of tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium?

tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium has a molecular weight of 2780.23 g/mol, XLogP of 27.38, 23 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(4-amino-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate;carbanide;diphenylmethanimine;methane;methyl 3-[[5-ethyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(5-ethyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;palladium is sourced from PubChem (CID 158168536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).