2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol

C14H20N2O2 — CID 104800715

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2occc2C)n1
InChIInChI=1S/C14H20N2O2/c1-4-11(3)16-7-5-12(15-16)9-13(17)14-10(2)6-8-18-14/h5-8,11,13,17H,4,9H2,1-3H3
InChIKeyGXLYHJJTWAXOQM-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.03
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol (PubChem CID 104800715) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol
PubChem CID104800715
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol
SMILESCCC(C)n1ccc(CC(O)c2occc2C)n1
InChIInChI=1S/C14H20N2O2/c1-4-11(3)16-7-5-12(15-16)9-13(17)14-10(2)6-8-18-14/h5-8,11,13,17H,4,9H2,1-3H3
InChIKeyGXLYHJJTWAXOQM-UHFFFAOYSA-N
XLogP3.03
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 104804919
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2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
CID 64785813
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CID 107046440
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 64785433
1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol
CID 116659983
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105103217
2-(1-butan-2-ylpyrazol-3-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105103223
1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
CID 65131163
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115806450
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115806312

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol (CID 104800715) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol is CCC(C)n1ccc(CC(O)c2occc2C)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol?
The InChIKey is GXLYHJJTWAXOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-11(3)16-7-5-12(15-16)9-13(17)14-10(2)6-8-18-14/h5-8,11,13,17H,4,9H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol has a molecular weight of 248.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methylfuran-2-yl)ethanol is sourced from PubChem (CID 104800715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).