5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole

C14H10Cl2N2OS — CID 1477322

IUPAC5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C14H10Cl2N2OS/c1-19-10-4-2-9(3-5-10)18-12(6-7-17-18)11-8-13(15)20-14(11)16/h2-8H,1H3
InChIKeyAJMQYOIFCCXFMW-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.92
Rot. Bonds3

About 5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole

5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole (PubChem CID 1477322) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole
PubChem CID1477322
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C14H10Cl2N2OS/c1-19-10-4-2-9(3-5-10)18-12(6-7-17-18)11-8-13(15)20-14(11)16/h2-8H,1H3
InChIKeyAJMQYOIFCCXFMW-UHFFFAOYSA-N
XLogP4.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole (CID 1477322) is 5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole is COc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole?
The InChIKey is AJMQYOIFCCXFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c1-19-10-4-2-9(3-5-10)18-12(6-7-17-18)11-8-13(15)20-14(11)16/h2-8H,1H3.
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole?
5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole has a molecular weight of 325.22 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)-1-(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 1477322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).