2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol

C23H36N4O — CID 51906736

About 2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol

2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 51906736) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
• PubChem CID: 51906736
• Molecular Formula: C23H36N4O
• Molecular Weight: 384.57 g/mol
• Exact Mass: 384.29
• IUPAC Name: 2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
• SMILES: CC(C)Cc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)[nH]n1
• InChI: InChI=1S/C23H36N4O/c1-19(2)15-21-16-22(25-24-21)17-26-12-13-27(23(18-26)10-14-28)11-6-9-20-7-4-3-5-8-20/h3-5,7-8,16,19,23,28H,6,9-15,17-18H2,1-2H3,(H,24,25)/t23-/m1/s1
• InChIKey: SEVAYINDHVRXBE-HSZRJFAPSA-N
• XLogP: 3.11
• TPSA: 55.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.57
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?

The IUPAC name of 2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 51906736) is 2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?

The canonical SMILES for 2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is CC(C)Cc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)[nH]n1.

What is the InChIKey of 2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?

The InChIKey is SEVAYINDHVRXBE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H36N4O/c1-19(2)15-21-16-22(25-24-21)17-26-12-13-27(23(18-26)10-14-28)11-6-9-20-7-4-3-5-8-20/h3-5,7-8,16,19,23,28H,6,9-15,17-18H2,1-2H3,(H,24,25)/t23-/m1/s1.

What are the key properties of 2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?

2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 384.57 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-4-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51906736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).