4-(1-thiophen-2-ylpyrazol-4-yl)quinoline

C16H11N3S — CID 70681380

IUPAC4-(1-thiophen-2-ylpyrazol-4-yl)quinoline
SMILESc1csc(-n2cc(-c3ccnc4ccccc34)cn2)c1
InChIInChI=1S/C16H11N3S/c1-2-5-15-14(4-1)13(7-8-17-15)12-10-18-19(11-12)16-6-3-9-20-16/h1-11H
InChIKeyAHNRUDWDLSZAGN-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.15
Rot. Bonds2

About 4-(1-thiophen-2-ylpyrazol-4-yl)quinoline

4-(1-thiophen-2-ylpyrazol-4-yl)quinoline (PubChem CID 70681380) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(1-thiophen-2-ylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name4-(1-thiophen-2-ylpyrazol-4-yl)quinoline
PubChem CID70681380
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC Name4-(1-thiophen-2-ylpyrazol-4-yl)quinoline
SMILESc1csc(-n2cc(-c3ccnc4ccccc34)cn2)c1
InChIInChI=1S/C16H11N3S/c1-2-5-15-14(4-1)13(7-8-17-15)12-10-18-19(11-12)16-6-3-9-20-16/h1-11H
InChIKeyAHNRUDWDLSZAGN-UHFFFAOYSA-N
XLogP4.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-thiophen-2-ylpyrazol-4-yl)quinoline?
The IUPAC name of 4-(1-thiophen-2-ylpyrazol-4-yl)quinoline (CID 70681380) is 4-(1-thiophen-2-ylpyrazol-4-yl)quinoline.
What is the SMILES notation for 4-(1-thiophen-2-ylpyrazol-4-yl)quinoline?
The canonical SMILES for 4-(1-thiophen-2-ylpyrazol-4-yl)quinoline is c1csc(-n2cc(-c3ccnc4ccccc34)cn2)c1.
What is the InChIKey of 4-(1-thiophen-2-ylpyrazol-4-yl)quinoline?
The InChIKey is AHNRUDWDLSZAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S/c1-2-5-15-14(4-1)13(7-8-17-15)12-10-18-19(11-12)16-6-3-9-20-16/h1-11H.
What are the key properties of 4-(1-thiophen-2-ylpyrazol-4-yl)quinoline?
4-(1-thiophen-2-ylpyrazol-4-yl)quinoline has a molecular weight of 277.35 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-thiophen-2-ylpyrazol-4-yl)quinoline is sourced from PubChem (CID 70681380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).