1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol

C₁₂H₂₂N₂O — CID 107887171

About 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol

1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol (PubChem CID 107887171) has the molecular formula C₁₂H₂₂N₂O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol.

Molecular Properties

• Compound Name: 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol
• PubChem CID: 107887171
• Molecular Formula: C₁₂H₂₂N₂O
• Molecular Weight: 210.32 g/mol
• Exact Mass: 210.17
• IUPAC Name: 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol
• SMILES: CCCC(C)n1nc(C)c(C(C)O)c1C
• InChI: InChI=1S/C12H22N2O/c1-6-7-8(2)14-10(4)12(11(5)15)9(3)13-14/h8,11,15H,6-7H2,1-5H3
• InChIKey: QOYOSPHZBKGMFY-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 38.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	210.32
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol?

The IUPAC name of 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol (CID 107887171) is 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol.

What is the SMILES notation for 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol?

The canonical SMILES for 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol is CCCC(C)n1nc(C)c(C(C)O)c1C.

What is the InChIKey of 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol?

The InChIKey is QOYOSPHZBKGMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-7-8(2)14-10(4)12(11(5)15)9(3)13-14/h8,11,15H,6-7H2,1-5H3.

What are the key properties of 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol?

1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol has a molecular weight of 210.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol is sourced from PubChem (CID 107887171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107887171 — identifiers, structure, computed properties (public domain)

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