2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile

C16H14N4 — CID 63885085

IUPAC2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile
SMILESCC(C)c1ccn(-c2cc(C#N)c3ccccc3n2)n1
InChIInChI=1S/C16H14N4/c1-11(2)14-7-8-20(19-14)16-9-12(10-17)13-5-3-4-6-15(13)18-16/h3-9,11H,1-2H3
InChIKeyFFGHMILCVAMSFR-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.42
Rot. Bonds2

About 2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile

2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile (PubChem CID 63885085) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile
PubChem CID63885085
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile
SMILESCC(C)c1ccn(-c2cc(C#N)c3ccccc3n2)n1
InChIInChI=1S/C16H14N4/c1-11(2)14-7-8-20(19-14)16-9-12(10-17)13-5-3-4-6-15(13)18-16/h3-9,11H,1-2H3
InChIKeyFFGHMILCVAMSFR-UHFFFAOYSA-N
XLogP3.42
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile?
The IUPAC name of 2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile (CID 63885085) is 2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile is CC(C)c1ccn(-c2cc(C#N)c3ccccc3n2)n1.
What is the InChIKey of 2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile?
The InChIKey is FFGHMILCVAMSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-11(2)14-7-8-20(19-14)16-9-12(10-17)13-5-3-4-6-15(13)18-16/h3-9,11H,1-2H3.
What are the key properties of 2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile?
2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylpyrazol-1-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 63885085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).