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

C18H11Cl2N3S — CID 22147911

IUPAC2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]pyridine
SMILESClc1ccc(-c2cc(-c3sccc3Cl)nn2-c2ccccn2)cc1
InChIInChI=1S/C18H11Cl2N3S/c19-13-6-4-12(5-7-13)16-11-15(18-14(20)8-10-24-18)22-23(16)17-3-1-2-9-21-17/h1-11H
InChIKeyHOYGOGRMYZCFCS-UHFFFAOYSA-N
MW372.28 g/mol
LogP5.97
Rot. Bonds3

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

2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]pyridine (PubChem CID 22147911) has the molecular formula C18H11Cl2N3S and a molecular weight of 372.28 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]pyridine
PubChem CID22147911
Molecular FormulaC18H11Cl2N3S
Molecular Weight372.28 g/mol
Exact Mass371.01
IUPAC Name2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]pyridine
SMILESClc1ccc(-c2cc(-c3sccc3Cl)nn2-c2ccccn2)cc1
InChIInChI=1S/C18H11Cl2N3S/c19-13-6-4-12(5-7-13)16-11-15(18-14(20)8-10-24-18)22-23(16)17-3-1-2-9-21-17/h1-11H
InChIKeyHOYGOGRMYZCFCS-UHFFFAOYSA-N
XLogP5.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.28
LogP ≤ 55.97
H-Bond Donors ≤ 50
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]pyridine?
The IUPAC name of 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]pyridine (CID 22147911) is 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]pyridine is Clc1ccc(-c2cc(-c3sccc3Cl)nn2-c2ccccn2)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]pyridine?
The InChIKey is HOYGOGRMYZCFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3S/c19-13-6-4-12(5-7-13)16-11-15(18-14(20)8-10-24-18)22-23(16)17-3-1-2-9-21-17/h1-11H.
What are the key properties of 2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]pyridine?
2-[5-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)pyrazol-1-yl]pyridine has a molecular weight of 372.28 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 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]pyridine is sourced from PubChem (CID 22147911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).