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

C14H10Cl2N2S — CID 1488800

IUPAC5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C14H10Cl2N2S/c1-9-2-4-10(5-3-9)18-12(6-7-17-18)11-8-13(15)19-14(11)16/h2-8H,1H3
InChIKeyVWUWSESNZORTFK-UHFFFAOYSA-N
MW309.22 g/mol
LogP5.22
Rot. Bonds2

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

5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole (PubChem CID 1488800) has the molecular formula C14H10Cl2N2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole
PubChem CID1488800
Molecular FormulaC14H10Cl2N2S
Molecular Weight309.22 g/mol
Exact Mass307.99
IUPAC Name5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole
SMILESCc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C14H10Cl2N2S/c1-9-2-4-10(5-3-9)18-12(6-7-17-18)11-8-13(15)19-14(11)16/h2-8H,1H3
InChIKeyVWUWSESNZORTFK-UHFFFAOYSA-N
XLogP5.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.22
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole (CID 1488800) is 5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole is Cc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole?
The InChIKey is VWUWSESNZORTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2S/c1-9-2-4-10(5-3-9)18-12(6-7-17-18)11-8-13(15)19-14(11)16/h2-8H,1H3.
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole?
5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole has a molecular weight of 309.22 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 1488800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).