tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole

C97H147Cl4N15O20S — CID 158369848

About tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole

tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole (PubChem CID 158369848) has the molecular formula C97H147Cl4N15O20S and a molecular weight of 2017.21 g/mol. Its IUPAC name is tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole.

Molecular Properties

• Compound Name: tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole
• PubChem CID: 158369848
• Molecular Formula: C97H147Cl4N15O20S
• Molecular Weight: 2017.21 g/mol
• Exact Mass: 2013.94
• IUPAC Name: tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole
• SMILES: CC(C)(C)C(=O)O.CC(C)(C)CO.CC(C)(C)COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.CC(C)(C)COc1ccn(-c2ccc(C(=O)OC(C)(C)C)c(Cl)n2)n1.CC(C)(C)COc1ccn(C(=O)OC(C)(C)C)n1.CC(C)(C)COc1ccn[nH]1.CC(C)(C)OC(=O)N1C=CC(=O)C1.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.CC1(C)CC[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)C1
• InChI: InChI=1S/C18H24ClN3O3.C15H25N3O2S.C14H16ClN3O3.C13H22N2O3.C10H11Cl2NO2.C9H13NO3.C8H14N2O.C5H10O2.C5H12O/c1-17(2,3)11-24-14-9-10-22(21-14)13-8-7-12(15(19)20-13)16(23)25-18(4,5)6;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20;1-14(2,3)8-21-11-6-7-18(17-11)10-5-4-9(13(19)20)12(15)16-10;1-12(2,3)9-17-10-7-8-15(14-10)11(16)18-13(4,5)6;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12;1-9(2,3)13-8(12)10-5-4-7(11)6-10;1-8(2,3)6-11-7-4-5-9-10-7;1-5(2,3)4(6)7;1-5(2,3)4-6/h7-10H,11H2,1-6H3;3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20);4-7H,8H2,1-3H3,(H,19,20);7-8H,9H2,1-6H3;4-5H,1-3H3;4-5H,6H2,1-3H3;4-5H,6H2,1-3H3,(H,9,10);1-3H3,(H,6,7);6H,4H2,1-3H3/t;12-;;;;;;;/m.1......./s1
• InChIKey: GULZHVAYRHSPCO-VHBQQKSRSA-N
• XLogP: 21.82
• TPSA: 463.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2017.21
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole?

The IUPAC name of tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole (CID 158369848) is tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole.

What is the SMILES notation for tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole?

The canonical SMILES for tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole is CC(C)(C)C(=O)O.CC(C)(C)CO.CC(C)(C)COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.CC(C)(C)COc1ccn(-c2ccc(C(=O)OC(C)(C)C)c(Cl)n2)n1.CC(C)(C)COc1ccn(C(=O)OC(C)(C)C)n1.CC(C)(C)COc1ccn[nH]1.CC(C)(C)OC(=O)N1C=CC(=O)C1.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.CC1(C)CC[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)C1.

What is the InChIKey of tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole?

The InChIKey is GULZHVAYRHSPCO-VHBQQKSRSA-N. The full InChI is InChI=1S/C18H24ClN3O3.C15H25N3O2S.C14H16ClN3O3.C13H22N2O3.C10H11Cl2NO2.C9H13NO3.C8H14N2O.C5H10O2.C5H12O/c1-17(2,3)11-24-14-9-10-22(21-14)13-8-7-12(15(19)20-13)16(23)25-18(4,5)6;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20;1-14(2,3)8-21-11-6-7-18(17-11)10-5-4-9(13(19)20)12(15)16-10;1-12(2,3)9-17-10-7-8-15(14-10)11(16)18-13(4,5)6;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12;1-9(2,3)13-8(12)10-5-4-7(11)6-10;1-8(2,3)6-11-7-4-5-9-10-7;1-5(2,3)4(6)7;1-5(2,3)4-6/h7-10H,11H2,1-6H3;3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20);4-7H,8H2,1-3H3,(H,19,20);7-8H,9H2,1-6H3;4-5H,1-3H3;4-5H,6H2,1-3H3;4-5H,6H2,1-3H3,(H,9,10);1-3H3,(H,6,7);6H,4H2,1-3H3/t;12-;;;;;;;/m.1......./s1.

What are the key properties of tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole?

tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole has a molecular weight of 2017.21 g/mol, XLogP of 21.82, 19 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole is sourced from PubChem (CID 158369848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).