Methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole

C₈₂H₁₁₈N₁₂O₇ — CID 158815321

About Methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole

Methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole (PubChem CID 158815321) has the molecular formula C₈₂H₁₁₈N₁₂O₇ and a molecular weight of 1383.92 g/mol. Its IUPAC name is methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole.

Molecular Properties

• Compound Name: Methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole
• PubChem CID: 158815321
• Molecular Formula: C₈₂H₁₁₈N₁₂O₇
• Molecular Weight: 1383.92 g/mol
• Exact Mass: 1382.92
• IUPAC Name: methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole
• SMILES: C.C.C.C.C.CC(C)n1cc(-c2ccc3cccnc3c2)cn1.CC(C)n1cc(-c2cccc(N3CCCC3)c2)cn1.COCCOc1ccc(-c2cnn(C(C)C)c2)cc1.COCCOc1ccc(-c2cnn(C(C)C)c2)cc1OC.COCCOc1cccc(-c2cnn(C(C)C)c2)c1
• InChI: InChI=1S/C16H21N3.C16H22N2O3.C15H15N3.2C15H20N2O2.5CH4/c1-13(2)19-12-15(11-17-19)14-6-5-7-16(10-14)18-8-3-4-9-18;1-12(2)18-11-14(10-17-18)13-5-6-15(16(9-13)20-4)21-8-7-19-3;1-11(2)18-10-14(9-17-18)13-6-5-12-4-3-7-16-15(12)8-13;1-12(2)17-11-14(10-16-17)13-4-6-15(7-5-13)19-9-8-18-3;1-12(2)17-11-14(10-16-17)13-5-4-6-15(9-13)19-8-7-18-3;;;;;/h5-7,10-13H,3-4,8-9H2,1-2H3;5-6,9-12H,7-8H2,1-4H3;3-11H,1-2H3;4-7,10-12H,8-9H2,1-3H3;4-6,9-12H,7-8H2,1-3H3;5*1H4
• InChIKey: IVERXPXKUZOXBI-UHFFFAOYSA-N
• XLogP: 20.07
• TPSA: 169.84 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1383.92
LogP ≤ 5	20.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole?

The IUPAC name of Methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole (CID 158815321) is methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole.

What is the SMILES notation for Methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole?

The canonical SMILES for Methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole is C.C.C.C.C.CC(C)n1cc(-c2ccc3cccnc3c2)cn1.CC(C)n1cc(-c2cccc(N3CCCC3)c2)cn1.COCCOc1ccc(-c2cnn(C(C)C)c2)cc1.COCCOc1ccc(-c2cnn(C(C)C)c2)cc1OC.COCCOc1cccc(-c2cnn(C(C)C)c2)c1.

What is the InChIKey of Methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole?

The InChIKey is IVERXPXKUZOXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.C16H22N2O3.C15H15N3.2C15H20N2O2.5CH4/c1-13(2)19-12-15(11-17-19)14-6-5-7-16(10-14)18-8-3-4-9-18;1-12(2)18-11-14(10-17-18)13-5-6-15(16(9-13)20-4)21-8-7-19-3;1-11(2)18-10-14(9-17-18)13-6-5-12-4-3-7-16-15(12)8-13;1-12(2)17-11-14(10-16-17)13-4-6-15(7-5-13)19-9-8-18-3;1-12(2)17-11-14(10-16-17)13-5-4-6-15(9-13)19-8-7-18-3;;;;;/h5-7,10-13H,3-4,8-9H2,1-2H3;5-6,9-12H,7-8H2,1-4H3;3-11H,1-2H3;4-7,10-12H,8-9H2,1-3H3;4-6,9-12H,7-8H2,1-3H3;5*1H4.

What are the key properties of Methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole?

Methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole has a molecular weight of 1383.92 g/mol, XLogP of 20.07, 24 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for Methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole is sourced from PubChem (CID 158815321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158815321 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.