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

C13H7Cl3N2S — CID 1477325

IUPAC1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole
SMILESClc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H7Cl3N2S/c14-8-1-3-9(4-2-8)18-11(5-6-17-18)10-7-12(15)19-13(10)16/h1-7H
InChIKeyQAMDQZJSQHWQNS-UHFFFAOYSA-N
MW329.64 g/mol
LogP5.56
Rot. Bonds2

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

1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole (PubChem CID 1477325) has the molecular formula C13H7Cl3N2S and a molecular weight of 329.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole
PubChem CID1477325
Molecular FormulaC13H7Cl3N2S
Molecular Weight329.64 g/mol
Exact Mass327.94
IUPAC Name1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole
SMILESClc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H7Cl3N2S/c14-8-1-3-9(4-2-8)18-11(5-6-17-18)10-7-12(15)19-13(10)16/h1-7H
InChIKeyQAMDQZJSQHWQNS-UHFFFAOYSA-N
XLogP5.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.64
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole (CID 1477325) is 1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole is Clc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole?
The InChIKey is QAMDQZJSQHWQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2S/c14-8-1-3-9(4-2-8)18-11(5-6-17-18)10-7-12(15)19-13(10)16/h1-7H.
What are the key properties of 1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole?
1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole has a molecular weight of 329.64 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(2,5-dichlorothiophen-3-yl)pyrazole is sourced from PubChem (CID 1477325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).