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

C12H8ClN3S — CID 67261439

IUPAC4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
SMILESClc1ccc(-c2[nH]ncc2-c2ccncc2)s1
InChIInChI=1S/C12H8ClN3S/c13-11-2-1-10(17-11)12-9(7-15-16-12)8-3-5-14-6-4-8/h1-7H,(H,15,16)
InChIKeyZKNYRWOKGRQBPM-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.85
Rot. Bonds2

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

4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine (PubChem CID 67261439) has the molecular formula C12H8ClN3S and a molecular weight of 261.74 g/mol. Its IUPAC name is 4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
PubChem CID67261439
Molecular FormulaC12H8ClN3S
Molecular Weight261.74 g/mol
Exact Mass261.01
IUPAC Name4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine
SMILESClc1ccc(-c2[nH]ncc2-c2ccncc2)s1
InChIInChI=1S/C12H8ClN3S/c13-11-2-1-10(17-11)12-9(7-15-16-12)8-3-5-14-6-4-8/h1-7H,(H,15,16)
InChIKeyZKNYRWOKGRQBPM-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine (CID 67261439) is 4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine is Clc1ccc(-c2[nH]ncc2-c2ccncc2)s1.
What is the InChIKey of 4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is ZKNYRWOKGRQBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S/c13-11-2-1-10(17-11)12-9(7-15-16-12)8-3-5-14-6-4-8/h1-7H,(H,15,16).
What are the key properties of 4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine?
4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 261.74 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 67261439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).