3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C22H31N3O2 — CID 46955311

About 3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 46955311) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

• Compound Name: 3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
• PubChem CID: 46955311
• Molecular Formula: C22H31N3O2
• Molecular Weight: 369.51 g/mol
• Exact Mass: 369.24
• IUPAC Name: 3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
• SMILES: CCCn1ncc(CN2C3CCC2CC(O)(c2ccccc2OC)C3)c1C
• InChI: InChI=1S/C22H31N3O2/c1-4-11-25-16(2)17(14-23-25)15-24-18-9-10-19(24)13-22(26,12-18)20-7-5-6-8-21(20)27-3/h5-8,14,18-19,26H,4,9-13,15H2,1-3H3
• InChIKey: HSCNONCKOXJPDS-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 50.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?

The IUPAC name of 3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 46955311) is 3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

What is the SMILES notation for 3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?

The canonical SMILES for 3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCCn1ncc(CN2C3CCC2CC(O)(c2ccccc2OC)C3)c1C.

What is the InChIKey of 3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?

The InChIKey is HSCNONCKOXJPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-4-11-25-16(2)17(14-23-25)15-24-18-9-10-19(24)13-22(26,12-18)20-7-5-6-8-21(20)27-3/h5-8,14,18-19,26H,4,9-13,15H2,1-3H3.

What are the key properties of 3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?

3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 369.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 46955311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).