tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine

C141H198BBrN30O37S — CID 160735249

About tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine

tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine (PubChem CID 160735249) has the molecular formula C141H198BBrN30O37S and a molecular weight of 3028.09 g/mol. Its IUPAC name is tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine.

Molecular Properties

• Compound Name: tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine
• PubChem CID: 160735249
• Molecular Formula: C141H198BBrN30O37S
• Molecular Weight: 3028.09 g/mol
• Exact Mass: 3025.35
• IUPAC Name: tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])c(C(=O)O)n2)CC1.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CN(CCCCCCOS(C)(=O)=O)C(=O)OC(C)(C)C.CO.COC(=O)c1cccc(-c2cnn(CCCCCCN)c2)n1.COC(=O)c1cccc(-c2cnn(CCCCCCNC(=O)OC(C)(C)C)c2)n1.COC(=O)c1cccc(Br)n1.Cc1cccc(-c2cn[nH]c2)n1.Cc1cccc(-c2cnn(C(=O)OC(C)(C)C)c2)n1.Cc1cccc(-c2cnn(CCCCCCNC(=O)c3nn(C4CCN(C(=O)OC(C)(C)C)CC4)cc3[N+](=O)[O-])c2)n1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C29H40N8O5.C21H30N4O4.C16H22N4O2.C14H23BN2O4.C14H20N4O6.C14H17N3O2.C13H27NO5S.C9H9N3.C7H6BrNO2.3CO2.CH4O/c1-21-10-9-11-24(32-21)22-18-31-35(19-22)15-8-6-5-7-14-30-27(38)26-25(37(40)41)20-36(33-26)23-12-16-34(17-13-23)28(39)42-29(2,3)4;1-21(2,3)29-20(27)22-12-7-5-6-8-13-25-15-16(14-23-25)17-10-9-11-18(24-17)19(26)28-4;1-22-16(21)15-8-6-7-14(19-15)13-11-18-20(12-13)10-5-3-2-4-9-17;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15;1-14(2,3)24-13(21)16-6-4-9(5-7-16)17-8-10(18(22)23)11(15-17)12(19)20;1-10-6-5-7-12(16-10)11-8-15-17(9-11)13(18)19-14(2,3)4;1-13(2,3)19-12(15)14(4)10-8-6-7-9-11-18-20(5,16)17;1-7-3-2-4-9(12-7)8-5-10-11-6-8;1-11-7(10)5-3-2-4-6(8)9-5;3*2-1-3;1-2/h9-11,18-20,23H,5-8,12-17H2,1-4H3,(H,30,38);9-11,14-15H,5-8,12-13H2,1-4H3,(H,22,27);6-8,11-12H,2-5,9-10,17H2,1H3;8-9H,1-7H3;8-9H,4-7H2,1-3H3,(H,19,20);5-9H,1-4H3;6-11H2,1-5H3;2-6H,1H3,(H,10,11);2-4H,1H3;;;;2H,1H3
• InChIKey: RUWBPYZXGLXLKO-UHFFFAOYSA-N
• XLogP: 21.71
• TPSA: 852.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 58
• Rotatable Bonds: 43
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3028.09
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine?

The IUPAC name of tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine (CID 160735249) is tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine.

What is the SMILES notation for tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine?

The canonical SMILES for tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine is CC(C)(C)OC(=O)N1CCC(n2cc([N+](=O)[O-])c(C(=O)O)n2)CC1.CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CN(CCCCCCOS(C)(=O)=O)C(=O)OC(C)(C)C.CO.COC(=O)c1cccc(-c2cnn(CCCCCCN)c2)n1.COC(=O)c1cccc(-c2cnn(CCCCCCNC(=O)OC(C)(C)C)c2)n1.COC(=O)c1cccc(Br)n1.Cc1cccc(-c2cn[nH]c2)n1.Cc1cccc(-c2cnn(C(=O)OC(C)(C)C)c2)n1.Cc1cccc(-c2cnn(CCCCCCNC(=O)c3nn(C4CCN(C(=O)OC(C)(C)C)CC4)cc3[N+](=O)[O-])c2)n1.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine?

The InChIKey is RUWBPYZXGLXLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N8O5.C21H30N4O4.C16H22N4O2.C14H23BN2O4.C14H20N4O6.C14H17N3O2.C13H27NO5S.C9H9N3.C7H6BrNO2.3CO2.CH4O/c1-21-10-9-11-24(32-21)22-18-31-35(19-22)15-8-6-5-7-14-30-27(38)26-25(37(40)41)20-36(33-26)23-12-16-34(17-13-23)28(39)42-29(2,3)4;1-21(2,3)29-20(27)22-12-7-5-6-8-13-25-15-16(14-23-25)17-10-9-11-18(24-17)19(26)28-4;1-22-16(21)15-8-6-7-14(19-15)13-11-18-20(12-13)10-5-3-2-4-9-17;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15;1-14(2,3)24-13(21)16-6-4-9(5-7-16)17-8-10(18(22)23)11(15-17)12(19)20;1-10-6-5-7-12(16-10)11-8-15-17(9-11)13(18)19-14(2,3)4;1-13(2,3)19-12(15)14(4)10-8-6-7-9-11-18-20(5,16)17;1-7-3-2-4-9(12-7)8-5-10-11-6-8;1-11-7(10)5-3-2-4-6(8)9-5;3*2-1-3;1-2/h9-11,18-20,23H,5-8,12-17H2,1-4H3,(H,30,38);9-11,14-15H,5-8,12-13H2,1-4H3,(H,22,27);6-8,11-12H,2-5,9-10,17H2,1H3;8-9H,1-7H3;8-9H,4-7H2,1-3H3,(H,19,20);5-9H,1-4H3;6-11H2,1-5H3;2-6H,1H3,(H,10,11);2-4H,1H3;;;;2H,1H3.

What are the key properties of tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine?

tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine has a molecular weight of 3028.09 g/mol, XLogP of 21.71, 43 rotatable bonds, 6 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(6-methyl-2-pyridinyl)pyrazole-1-carboxylate;tert-butyl 4-[3-[6-[4-(6-methyl-2-pyridinyl)pyrazol-1-yl]hexylcarbamoyl]-4-nitropyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;tris(carbon dioxide);methanol;methyl 6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carboxylate;methyl 6-bromopyridine-2-carboxylate;6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate;methyl 6-[1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]pyrazol-4-yl]pyridine-2-carboxylate;1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-nitropyrazole-3-carboxylic acid;2-methyl-6-(1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 160735249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).