1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol

C13H18N2O2S — CID 114277741

IUPAC1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol
SMILESCOCCn1nccc1C(C)(O)c1sccc1C
InChIInChI=1S/C13H18N2O2S/c1-10-5-9-18-12(10)13(2,16)11-4-6-14-15(11)7-8-17-3/h4-6,9,16H,7-8H2,1-3H3
InChIKeyYXSDIAZKJCAGAU-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.16
Rot. Bonds5

About 1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol

1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 114277741) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol
PubChem CID114277741
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol
SMILESCOCCn1nccc1C(C)(O)c1sccc1C
InChIInChI=1S/C13H18N2O2S/c1-10-5-9-18-12(10)13(2,16)11-4-6-14-15(11)7-8-17-3/h4-6,9,16H,7-8H2,1-3H3
InChIKeyYXSDIAZKJCAGAU-UHFFFAOYSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol (CID 114277741) is 1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol is COCCn1nccc1C(C)(O)c1sccc1C.
What is the InChIKey of 1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is YXSDIAZKJCAGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-10-5-9-18-12(10)13(2,16)11-4-6-14-15(11)7-8-17-3/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol?
1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 266.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)pyrazol-3-yl]-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 114277741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).