1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol

C14H20N2O2 — CID 115816374

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1cc(C)oc1C
InChIInChI=1S/C14H20N2O2/c1-5-16-12(6-9(2)15-16)8-14(17)13-7-10(3)18-11(13)4/h6-7,14,17H,5,8H2,1-4H3
InChIKeySHAULTCHODWPDM-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.70
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol

1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol (PubChem CID 115816374) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
PubChem CID115816374
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1cc(C)oc1C
InChIInChI=1S/C14H20N2O2/c1-5-16-12(6-9(2)15-16)8-14(17)13-7-10(3)18-11(13)4/h6-7,14,17H,5,8H2,1-4H3
InChIKeySHAULTCHODWPDM-UHFFFAOYSA-N
XLogP2.70
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylfuran-3-yl)ethanol
CID 104789623
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
CID 115813255
1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816497
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105109618
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554068
[2-(1,3-diethylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethyl]hydrazine
CID 105318343
1-(2-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816454
1-(3-bromo-2-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816458
1-(2-ethyl-5-methylpyrazol-3-yl)hexane-2,3-diol
CID 103454836
2-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105002740
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131436

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol (CID 115816374) is 1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol is CCn1nc(C)cc1CC(O)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The InChIKey is SHAULTCHODWPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-16-12(6-9(2)15-16)8-14(17)13-7-10(3)18-11(13)4/h6-7,14,17H,5,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol has a molecular weight of 248.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 115816374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).