2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile

C13H14N4 — CID 126561155

IUPAC2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile
SMILESCc1nn(Cc2ncccc2C#N)c(C)c1C
InChIInChI=1S/C13H14N4/c1-9-10(2)16-17(11(9)3)8-13-12(7-14)5-4-6-15-13/h4-6H,8H2,1-3H3
InChIKeyABJFCUCOKMXGSR-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.12
Rot. Bonds2

About 2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile

2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile (PubChem CID 126561155) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile
PubChem CID126561155
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile
SMILESCc1nn(Cc2ncccc2C#N)c(C)c1C
InChIInChI=1S/C13H14N4/c1-9-10(2)16-17(11(9)3)8-13-12(7-14)5-4-6-15-13/h4-6H,8H2,1-3H3
InChIKeyABJFCUCOKMXGSR-UHFFFAOYSA-N
XLogP2.12
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile (CID 126561155) is 2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile is Cc1nn(Cc2ncccc2C#N)c(C)c1C.
What is the InChIKey of 2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile?
The InChIKey is ABJFCUCOKMXGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-9-10(2)16-17(11(9)3)8-13-12(7-14)5-4-6-15-13/h4-6H,8H2,1-3H3.
What are the key properties of 2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile?
2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 126561155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).