tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane

C125H197BrN28O26 — CID 157447572

About tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane

tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane (PubChem CID 157447572) has the molecular formula C125H197BrN28O26 and a molecular weight of 2588.02 g/mol. Its IUPAC name is tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane.

Molecular Properties

• Compound Name: tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane
• PubChem CID: 157447572
• Molecular Formula: C125H197BrN28O26
• Molecular Weight: 2588.02 g/mol
• Exact Mass: 2585.41
• IUPAC Name: tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane
• SMILES: C.C.C.C.C1CCOC1.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Cc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C.Cc1[nH]ncc1[N+](=O)[O-].Cc1c(N)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.Cc1c([N+](=O)[O-])cnn1C1CCN(C(=O)OC(C)(C)C)CC1.Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1N.Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-].O=C1CCCCC1
• InChI: InChI=1S/2C22H30N4O4.2C14H22N4O4.2C14H24N4O2.C7H6BrNO2.C6H10O.C4H5N3O2.C4H8O.4CH4/c1-15-16(12-17-13-23-9-6-19(17)20(27)29-5)14-24-26(15)18-7-10-25(11-8-18)21(28)30-22(2,3)4;1-15-17(12-16-13-23-9-6-19(16)20(27)29-5)14-26(24-15)18-7-10-25(11-8-18)21(28)30-22(2,3)4;1-10-12(18(20)21)9-17(15-10)11-5-7-16(8-6-11)13(19)22-14(2,3)4;1-10-12(18(20)21)9-15-17(10)11-5-7-16(8-6-11)13(19)22-14(2,3)4;1-10-12(15)9-18(16-10)11-5-7-17(8-6-11)13(19)20-14(2,3)4;1-10-12(15)9-16-18(10)11-5-7-17(8-6-11)13(19)20-14(2,3)4;1-11-7(10)5-2-3-9-4-6(5)8;7-6-4-2-1-3-5-6;1-3-4(7(8)9)2-5-6-3;1-2-4-5-3-1;;;;/h2*6,9,13-14,18H,7-8,10-12H2,1-5H3;2*9,11H,5-8H2,1-4H3;2*9,11H,5-8,15H2,1-4H3;2-4H,1H3;1-5H2;2H,1H3,(H,5,6);1-4H2;4*1H4
• InChIKey: BSKHOOWYUXIQOD-UHFFFAOYSA-N
• XLogP: 24.22
• TPSA: 638.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 16
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2588.02
LogP ≤ 5	24.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane?

The IUPAC name of tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane (CID 157447572) is tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane.

What is the SMILES notation for tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane?

The canonical SMILES for tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane is C.C.C.C.C1CCOC1.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Cc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C.COC(=O)c1ccncc1Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C.Cc1[nH]ncc1[N+](=O)[O-].Cc1c(N)cnn1C1CCN(C(=O)OC(C)(C)C)CC1.Cc1c([N+](=O)[O-])cnn1C1CCN(C(=O)OC(C)(C)C)CC1.Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1N.Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-].O=C1CCCCC1.

What is the InChIKey of tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane?

The InChIKey is BSKHOOWYUXIQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H30N4O4.2C14H22N4O4.2C14H24N4O2.C7H6BrNO2.C6H10O.C4H5N3O2.C4H8O.4CH4/c1-15-16(12-17-13-23-9-6-19(17)20(27)29-5)14-24-26(15)18-7-10-25(11-8-18)21(28)30-22(2,3)4;1-15-17(12-16-13-23-9-6-19(16)20(27)29-5)14-26(24-15)18-7-10-25(11-8-18)21(28)30-22(2,3)4;1-10-12(18(20)21)9-17(15-10)11-5-7-16(8-6-11)13(19)22-14(2,3)4;1-10-12(18(20)21)9-15-17(10)11-5-7-16(8-6-11)13(19)22-14(2,3)4;1-10-12(15)9-18(16-10)11-5-7-17(8-6-11)13(19)20-14(2,3)4;1-10-12(15)9-16-18(10)11-5-7-17(8-6-11)13(19)20-14(2,3)4;1-11-7(10)5-2-3-9-4-6(5)8;7-6-4-2-1-3-5-6;1-3-4(7(8)9)2-5-6-3;1-2-4-5-3-1;;;;/h2*6,9,13-14,18H,7-8,10-12H2,1-5H3;2*9,11H,5-8H2,1-4H3;2*9,11H,5-8,15H2,1-4H3;2-4H,1H3;1-5H2;2H,1H3,(H,5,6);1-4H2;4*1H4.

What are the key properties of tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane?

tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane has a molecular weight of 2588.02 g/mol, XLogP of 24.22, 16 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(4-amino-3-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-amino-5-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate;cyclohexanone;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[[5-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole;oxolane is sourced from PubChem (CID 157447572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).