2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol

C21H32N4O2 — CID 29258024

About 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 29258024) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
• PubChem CID: 29258024
• Molecular Formula: C21H32N4O2
• Molecular Weight: 372.51 g/mol
• Exact Mass: 372.25
• IUPAC Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
• SMILES: CCn1cc(CN2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cn1
• InChI: InChI=1S/C21H32N4O2/c1-4-25-15-19(12-22-25)13-23-8-9-24(20(16-23)7-10-26)14-18-5-6-21(27-3)17(2)11-18/h5-6,11-12,15,20,26H,4,7-10,13-14,16H2,1-3H3/t20-/m0/s1
• InChIKey: OXXFQBQORDQVBC-FQEVSTJZSA-N
• XLogP: 2.29
• TPSA: 53.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.51
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?

The IUPAC name of 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 29258024) is 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?

The canonical SMILES for 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol is CCn1cc(CN2CCN(Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cn1.

What is the InChIKey of 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?

The InChIKey is OXXFQBQORDQVBC-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-25-15-19(12-22-25)13-23-8-9-24(20(16-23)7-10-26)14-18-5-6-21(27-3)17(2)11-18/h5-6,11-12,15,20,26H,4,7-10,13-14,16H2,1-3H3/t20-/m0/s1.

What are the key properties of 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol?

2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 372.51 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29258024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).