3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine

C13H11N3OS — CID 67284057

IUPAC3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine
SMILESc1cncc(-c2[nH]ncc2SCc2ccco2)c1
InChIInChI=1S/C13H11N3OS/c1-3-10(7-14-5-1)13-12(8-15-16-13)18-9-11-4-2-6-17-11/h1-8H,9H2,(H,15,16)
InChIKeyVEIJTQPWKHHJHK-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.36
Rot. Bonds4

About 3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine

3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine (PubChem CID 67284057) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine
PubChem CID67284057
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine
SMILESc1cncc(-c2[nH]ncc2SCc2ccco2)c1
InChIInChI=1S/C13H11N3OS/c1-3-10(7-14-5-1)13-12(8-15-16-13)18-9-11-4-2-6-17-11/h1-8H,9H2,(H,15,16)
InChIKeyVEIJTQPWKHHJHK-UHFFFAOYSA-N
XLogP3.36
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine (CID 67284057) is 3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine is c1cncc(-c2[nH]ncc2SCc2ccco2)c1.
What is the InChIKey of 3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine?
The InChIKey is VEIJTQPWKHHJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-3-10(7-14-5-1)13-12(8-15-16-13)18-9-11-4-2-6-17-11/h1-8H,9H2,(H,15,16).
What are the key properties of 3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine?
3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine has a molecular weight of 257.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-ylmethylsulfanyl)-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 67284057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).