2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H11F3N4 — CID 79869152

IUPAC2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)c1ccn(-c2nc(C(F)(F)F)ccc2C#N)n1
InChIInChI=1S/C13H11F3N4/c1-8(2)10-5-6-20(19-10)12-9(7-17)3-4-11(18-12)13(14,15)16/h3-6,8H,1-2H3
InChIKeyIOCFDOSKQPOVJI-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.28
Rot. Bonds2

About 2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79869152) has the molecular formula C13H11F3N4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79869152
Molecular FormulaC13H11F3N4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)c1ccn(-c2nc(C(F)(F)F)ccc2C#N)n1
InChIInChI=1S/C13H11F3N4/c1-8(2)10-5-6-20(19-10)12-9(7-17)3-4-11(18-12)13(14,15)16/h3-6,8H,1-2H3
InChIKeyIOCFDOSKQPOVJI-UHFFFAOYSA-N
XLogP3.28
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.28
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)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79869152) is 2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is CC(C)c1ccn(-c2nc(C(F)(F)F)ccc2C#N)n1.
What is the InChIKey of 2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is IOCFDOSKQPOVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4/c1-8(2)10-5-6-20(19-10)12-9(7-17)3-4-11(18-12)13(14,15)16/h3-6,8H,1-2H3.
What are the key properties of 2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(3-propan-2-ylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 280.25 g/mol, XLogP of 3.28, 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)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79869152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).