1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol

C10H12N2OS — CID 11557532

IUPAC1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol
SMILESCn1nccc1C(C)(O)c1cccs1
InChIInChI=1S/C10H12N2OS/c1-10(13,9-4-3-7-14-9)8-5-6-11-12(8)2/h3-7,13H,1-2H3
InChIKeyWIRBLSBIUFJYGF-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.74
Rot. Bonds2

About 1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol

1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol (PubChem CID 11557532) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol
PubChem CID11557532
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol
SMILESCn1nccc1C(C)(O)c1cccs1
InChIInChI=1S/C10H12N2OS/c1-10(13,9-4-3-7-14-9)8-5-6-11-12(8)2/h3-7,13H,1-2H3
InChIKeyWIRBLSBIUFJYGF-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol (CID 11557532) is 1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol is Cn1nccc1C(C)(O)c1cccs1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol?
The InChIKey is WIRBLSBIUFJYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-10(13,9-4-3-7-14-9)8-5-6-11-12(8)2/h3-7,13H,1-2H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol?
1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol has a molecular weight of 208.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 11557532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).