4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline

C16H11N3S — CID 11054978

IUPAC4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline
SMILESc1csc(-c2[nH]ncc2-c2ccnc3ccccc23)c1
InChIInChI=1S/C16H11N3S/c1-2-5-14-12(4-1)11(7-8-17-14)13-10-18-19-16(13)15-6-3-9-20-15/h1-10H,(H,18,19)
InChIKeyIPYHSGOSLLXUJY-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.35
Rot. Bonds2

About 4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline

4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline (PubChem CID 11054978) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline
PubChem CID11054978
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC Name4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline
SMILESc1csc(-c2[nH]ncc2-c2ccnc3ccccc23)c1
InChIInChI=1S/C16H11N3S/c1-2-5-14-12(4-1)11(7-8-17-14)13-10-18-19-16(13)15-6-3-9-20-15/h1-10H,(H,18,19)
InChIKeyIPYHSGOSLLXUJY-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline?
The IUPAC name of 4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline (CID 11054978) is 4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline.
What is the SMILES notation for 4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline?
The canonical SMILES for 4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline is c1csc(-c2[nH]ncc2-c2ccnc3ccccc23)c1.
What is the InChIKey of 4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline?
The InChIKey is IPYHSGOSLLXUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S/c1-2-5-14-12(4-1)11(7-8-17-14)13-10-18-19-16(13)15-6-3-9-20-15/h1-10H,(H,18,19).
What are the key properties of 4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline?
4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline has a molecular weight of 277.35 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-thiophen-2-yl-1H-pyrazol-4-yl)quinoline is sourced from PubChem (CID 11054978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).