3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole

C13H10N2S2 — CID 21454027

IUPAC3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole
SMILESc1ccc(Sc2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C13H10N2S2/c1-2-5-10(6-3-1)17-13-9-11(14-15-13)12-7-4-8-16-12/h1-9H,(H,14,15)
InChIKeyHHIBCYLSYGZQIZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.29
Rot. Bonds3

About 3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole

3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole (PubChem CID 21454027) has the molecular formula C13H10N2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole
PubChem CID21454027
Molecular FormulaC13H10N2S2
Molecular Weight258.37 g/mol
Exact Mass258.03
IUPAC Name3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole
SMILESc1ccc(Sc2cc(-c3cccs3)[nH]n2)cc1
InChIInChI=1S/C13H10N2S2/c1-2-5-10(6-3-1)17-13-9-11(14-15-13)12-7-4-8-16-12/h1-9H,(H,14,15)
InChIKeyHHIBCYLSYGZQIZ-UHFFFAOYSA-N
XLogP4.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(E)-2-(thiophen-2-yl)ethenyl]-5-(trifluoromethyl)-1H-pyrazole
CID 5920005
5-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrazole
CID 2739854
5-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2H-tetrazole
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5-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole (CID 21454027) is 3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole is c1ccc(Sc2cc(-c3cccs3)[nH]n2)cc1.
What is the InChIKey of 3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole?
The InChIKey is HHIBCYLSYGZQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2/c1-2-5-10(6-3-1)17-13-9-11(14-15-13)12-7-4-8-16-12/h1-9H,(H,14,15).
What are the key properties of 3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole?
3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole has a molecular weight of 258.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-5-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 21454027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).