[3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone

C14H10N2O2S — CID 70497392

IUPAC[3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)n1ccc(C=Cc2ccco2)n1
InChIInChI=1S/C14H10N2O2S/c17-14(11-6-9-19-10-11)16-7-5-12(15-16)3-4-13-2-1-8-18-13/h1-10H
InChIKeyBSODDFPLTQEDRZ-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.40
Rot. Bonds3

About [3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone

[3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone (PubChem CID 70497392) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is [3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone
PubChem CID70497392
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name[3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)n1ccc(C=Cc2ccco2)n1
InChIInChI=1S/C14H10N2O2S/c17-14(11-6-9-19-10-11)16-7-5-12(15-16)3-4-13-2-1-8-18-13/h1-10H
InChIKeyBSODDFPLTQEDRZ-UHFFFAOYSA-N
XLogP3.40
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone (CID 70497392) is [3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)n1ccc(C=Cc2ccco2)n1.
What is the InChIKey of [3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?
The InChIKey is BSODDFPLTQEDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-14(11-6-9-19-10-11)16-7-5-12(15-16)3-4-13-2-1-8-18-13/h1-10H.
What are the key properties of [3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone?
[3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone has a molecular weight of 270.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(furan-2-yl)ethenyl]pyrazol-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 70497392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).