4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile

C16H12N4S — CID 127264875

IUPAC4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile
SMILESCn1cc(-c2ccc(C=Cc3ccncc3C#N)s2)cn1
InChIInChI=1S/C16H12N4S/c1-20-11-14(10-19-20)16-5-4-15(21-16)3-2-12-6-7-18-9-13(12)8-17/h2-7,9-11H,1H3
InChIKeyBVBYOIYJUPLPSR-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.59
Rot. Bonds3

About 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile

4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile (PubChem CID 127264875) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile
PubChem CID127264875
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile
SMILESCn1cc(-c2ccc(C=Cc3ccncc3C#N)s2)cn1
InChIInChI=1S/C16H12N4S/c1-20-11-14(10-19-20)16-5-4-15(21-16)3-2-12-6-7-18-9-13(12)8-17/h2-7,9-11H,1H3
InChIKeyBVBYOIYJUPLPSR-UHFFFAOYSA-N
XLogP3.59
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile (CID 127264875) is 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile is Cn1cc(-c2ccc(C=Cc3ccncc3C#N)s2)cn1.
What is the InChIKey of 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile?
The InChIKey is BVBYOIYJUPLPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-20-11-14(10-19-20)16-5-4-15(21-16)3-2-12-6-7-18-9-13(12)8-17/h2-7,9-11H,1H3.
What are the key properties of 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile?
4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile has a molecular weight of 292.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 127264875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).