[5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol

C11H18N2O2 — CID 121212817

IUPAC[5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol
SMILESCCc1[nH]nc(C2CCOCC2)c1CO
InChIInChI=1S/C11H18N2O2/c1-2-10-9(7-14)11(13-12-10)8-3-5-15-6-4-8/h8,14H,2-7H2,1H3,(H,12,13)
InChIKeyLEPZPVXGBJAARM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds3

About [5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol

[5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol (PubChem CID 121212817) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is [5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol
PubChem CID121212817
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name[5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol
SMILESCCc1[nH]nc(C2CCOCC2)c1CO
InChIInChI=1S/C11H18N2O2/c1-2-10-9(7-14)11(13-12-10)8-3-5-15-6-4-8/h8,14H,2-7H2,1H3,(H,12,13)
InChIKeyLEPZPVXGBJAARM-UHFFFAOYSA-N
XLogP1.36
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-5-ethyl-3-(oxan-4-yl)-1H-pyrazole
CID 121212828
5-ethyl-3-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid
CID 121212806
3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212864
(3-cyclopentyl-5-methyl-1H-pyrazol-4-yl)methanol
CID 121212716
3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole
CID 171384521
3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212865
[5-(oxan-4-yl)-3-propan-2-yl-1H-pyrazol-4-yl]methanol
CID 121213089
4-ethyl-5-(oxan-4-yl)-1H-pyrazol-3-amine
CID 62906383
3-cyclopropyl-5-ethyl-4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazole
CID 171111618
5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine
CID 115735766
[5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol
CID 121212017
3-cyclopentyl-5-ethyl-4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazole
CID 171111620

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol?
The IUPAC name of [5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol (CID 121212817) is [5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol is CCc1[nH]nc(C2CCOCC2)c1CO.
What is the InChIKey of [5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol?
The InChIKey is LEPZPVXGBJAARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-10-9(7-14)11(13-12-10)8-3-5-15-6-4-8/h8,14H,2-7H2,1H3,(H,12,13).
What are the key properties of [5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol?
[5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol has a molecular weight of 210.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 121212817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).