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

C13H7Cl2FN2S — CID 1477321

IUPAC5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H7Cl2FN2S/c14-12-7-10(13(15)19-12)11-5-6-17-18(11)9-3-1-8(16)2-4-9/h1-7H
InChIKeyFMXIDANFMCBPEN-UHFFFAOYSA-N
MW313.18 g/mol
LogP5.05
Rot. Bonds2

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

5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole (PubChem CID 1477321) has the molecular formula C13H7Cl2FN2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole
PubChem CID1477321
Molecular FormulaC13H7Cl2FN2S
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H7Cl2FN2S/c14-12-7-10(13(15)19-12)11-5-6-17-18(11)9-3-1-8(16)2-4-9/h1-7H
InChIKeyFMXIDANFMCBPEN-UHFFFAOYSA-N
XLogP5.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.18
LogP ≤ 55.05
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-fluorophenyl)pyrazole?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole (CID 1477321) is 5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole is Fc1ccc(-n2nccc2-c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole?
The InChIKey is FMXIDANFMCBPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2S/c14-12-7-10(13(15)19-12)11-5-6-17-18(11)9-3-1-8(16)2-4-9/h1-7H.
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole?
5-(2,5-dichlorothiophen-3-yl)-1-(4-fluorophenyl)pyrazole has a molecular weight of 313.18 g/mol, XLogP of 5.05, 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-fluorophenyl)pyrazole is sourced from PubChem (CID 1477321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).