1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol

C12H16N2O2 — CID 105123108

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol
SMILESCCc1cc(C(O)Cc2ccoc2)n(C)n1
InChIInChI=1S/C12H16N2O2/c1-3-10-7-11(14(2)13-10)12(15)6-9-4-5-16-8-9/h4-5,7-8,12,15H,3,6H2,1-2H3
InChIKeySUVVINHVXLROTD-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.85
Rot. Bonds4

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

1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol (PubChem CID 105123108) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol
PubChem CID105123108
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol
SMILESCCc1cc(C(O)Cc2ccoc2)n(C)n1
InChIInChI=1S/C12H16N2O2/c1-3-10-7-11(14(2)13-10)12(15)6-9-4-5-16-8-9/h4-5,7-8,12,15H,3,6H2,1-2H3
InChIKeySUVVINHVXLROTD-UHFFFAOYSA-N
XLogP1.85
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(furan-3-yl)butan-2-ol
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1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol (CID 105123108) is 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol is CCc1cc(C(O)Cc2ccoc2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol?
The InChIKey is SUVVINHVXLROTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-10-7-11(14(2)13-10)12(15)6-9-4-5-16-8-9/h4-5,7-8,12,15H,3,6H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol?
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol has a molecular weight of 220.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-2-(furan-3-yl)ethanol is sourced from PubChem (CID 105123108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).