1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol

C10H11ClN2OS — CID 82869685

IUPAC1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2ccc(Cl)s2)n1
InChIInChI=1S/C10H11ClN2OS/c1-13-5-4-7(12-13)6-8(14)9-2-3-10(11)15-9/h2-5,8,14H,6H2,1H3
InChIKeyBVGHHHBIWOARDR-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.41
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol

1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 82869685) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID82869685
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2ccc(Cl)s2)n1
InChIInChI=1S/C10H11ClN2OS/c1-13-5-4-7(12-13)6-8(14)9-2-3-10(11)15-9/h2-5,8,14H,6H2,1H3
InChIKeyBVGHHHBIWOARDR-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

Analyze 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol (CID 82869685) is 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol is Cn1ccc(CC(O)c2ccc(Cl)s2)n1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is BVGHHHBIWOARDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-13-5-4-7(12-13)6-8(14)9-2-3-10(11)15-9/h2-5,8,14H,6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(5-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-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 82869685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).