2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol

C15H12Cl2N2OS — CID 22147924

IUPAC2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol
SMILESOCCn1nc(-c2sccc2Cl)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2N2OS/c16-11-3-1-10(2-4-11)14-9-13(18-19(14)6-7-20)15-12(17)5-8-21-15/h1-5,8-9,20H,6-7H2
InChIKeyXMNNIXBSSUBOOW-UHFFFAOYSA-N
MW339.25 g/mol
LogP4.58
Rot. Bonds4

About 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol

2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol (PubChem CID 22147924) has the molecular formula C15H12Cl2N2OS and a molecular weight of 339.25 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol
PubChem CID22147924
Molecular FormulaC15H12Cl2N2OS
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol
SMILESOCCn1nc(-c2sccc2Cl)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2N2OS/c16-11-3-1-10(2-4-11)14-9-13(18-19(14)6-7-20)15-12(17)5-8-21-15/h1-5,8-9,20H,6-7H2
InChIKeyXMNNIXBSSUBOOW-UHFFFAOYSA-N
XLogP4.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol (CID 22147924) is 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol is OCCn1nc(-c2sccc2Cl)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol?
The InChIKey is XMNNIXBSSUBOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2OS/c16-11-3-1-10(2-4-11)14-9-13(18-19(14)6-7-20)15-12(17)5-8-21-15/h1-5,8-9,20H,6-7H2.
What are the key properties of 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol?
2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol has a molecular weight of 339.25 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 22147924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).