1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol

C10H11ClN2OS — CID 82870211

IUPAC1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2cc(Cl)cs2)n1
InChIInChI=1S/C10H11ClN2OS/c1-13-3-2-8(12-13)5-9(14)10-4-7(11)6-15-10/h2-4,6,9,14H,5H2,1H3
InChIKeyUISZLFWJAKOBPC-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.41
Rot. Bonds3

About 1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol

1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 82870211) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID82870211
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2cc(Cl)cs2)n1
InChIInChI=1S/C10H11ClN2OS/c1-13-3-2-8(12-13)5-9(14)10-4-7(11)6-15-10/h2-4,6,9,14H,5H2,1H3
InChIKeyUISZLFWJAKOBPC-UHFFFAOYSA-N
XLogP2.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol (CID 82870211) is 1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol is Cn1ccc(CC(O)c2cc(Cl)cs2)n1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is UISZLFWJAKOBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-13-3-2-8(12-13)5-9(14)10-4-7(11)6-15-10/h2-4,6,9,14H,5H2,1H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 242.73 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 82870211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).