5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile

C11H10N4 — CID 115487799

IUPAC5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile
SMILESCc1cc(C)n(-c2ccc(C#N)nc2)n1
InChIInChI=1S/C11H10N4/c1-8-5-9(2)15(14-8)11-4-3-10(6-12)13-7-11/h3-5,7H,1-2H3
InChIKeyXBQMOWKHEZYWQE-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.76
Rot. Bonds1

About 5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile

5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile (PubChem CID 115487799) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile
PubChem CID115487799
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile
SMILESCc1cc(C)n(-c2ccc(C#N)nc2)n1
InChIInChI=1S/C11H10N4/c1-8-5-9(2)15(14-8)11-4-3-10(6-12)13-7-11/h3-5,7H,1-2H3
InChIKeyXBQMOWKHEZYWQE-UHFFFAOYSA-N
XLogP1.76
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]acetonitrile
CID 4962802
1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one
CID 112583735
1-(4-azidophenyl)-3,5-dimethylpyrazole
CID 150446996
5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile
CID 115489973
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533
ethane;5-methylpyridine-2-carbonitrile
CID 143546182
3,5-dimethyl-1-(4-nitrosophenyl)pyrazole
CID 129109952
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-pentafluoro-λ6-sulfane
CID 177419478
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 163346338
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839099
5-(2-methylthiomorpholin-4-yl)pyridine-2-carbonitrile
CID 115680930

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile (CID 115487799) is 5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile is Cc1cc(C)n(-c2ccc(C#N)nc2)n1.
What is the InChIKey of 5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile?
The InChIKey is XBQMOWKHEZYWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-5-9(2)15(14-8)11-4-3-10(6-12)13-7-11/h3-5,7H,1-2H3.
What are the key properties of 5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile?
5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 115487799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).