[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone

C23H31N3O2 — CID 70848732

About [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone

[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 70848732) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

• Compound Name: [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone
• PubChem CID: 70848732
• Molecular Formula: C23H31N3O2
• Molecular Weight: 381.52 g/mol
• Exact Mass: 381.24
• IUPAC Name: [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone
• SMILES: CC(C)(O)CC1CCN(C(=O)c2cc(-c3ccc4c(c3)CCCC4)n[nH]2)CC1
• InChI: InChI=1S/C23H31N3O2/c1-23(2,28)15-16-9-11-26(12-10-16)22(27)21-14-20(24-25-21)19-8-7-17-5-3-4-6-18(17)13-19/h7-8,13-14,16,28H,3-6,9-12,15H2,1-2H3,(H,24,25)
• InChIKey: AUXDORNLYZXOMY-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 69.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.52
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone?

The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone (CID 70848732) is [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone.

What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone?

The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone is CC(C)(O)CC1CCN(C(=O)c2cc(-c3ccc4c(c3)CCCC4)n[nH]2)CC1.

What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone?

The InChIKey is AUXDORNLYZXOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-23(2,28)15-16-9-11-26(12-10-16)22(27)21-14-20(24-25-21)19-8-7-17-5-3-4-6-18(17)13-19/h7-8,13-14,16,28H,3-6,9-12,15H2,1-2H3,(H,24,25).

What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone?

[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 381.52 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 70848732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).