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

C12H22N2O — CID 107887171

IUPAC1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol
SMILESCCCC(C)n1nc(C)c(C(C)O)c1C
InChIInChI=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
InChIKeyQOYOSPHZBKGMFY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.91
Rot. Bonds4

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 Name1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol
PubChem CID107887171
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)ethanol
SMILESCCCC(C)n1nc(C)c(C(C)O)c1C
InChIInChI=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
InChIKeyQOYOSPHZBKGMFY-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).