4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile

C13H12N4 — CID 127265784

IUPAC4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile
SMILESCc1c(C=Cc2ccncc2C#N)cnn1C
InChIInChI=1S/C13H12N4/c1-10-12(9-16-17(10)2)4-3-11-5-6-15-8-13(11)7-14/h3-6,8-9H,1-2H3
InChIKeyNQDGSYVTYNBVHQ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.17
Rot. Bonds2

About 4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile

4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile (PubChem CID 127265784) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile
PubChem CID127265784
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile
SMILESCc1c(C=Cc2ccncc2C#N)cnn1C
InChIInChI=1S/C13H12N4/c1-10-12(9-16-17(10)2)4-3-11-5-6-15-8-13(11)7-14/h3-6,8-9H,1-2H3
InChIKeyNQDGSYVTYNBVHQ-UHFFFAOYSA-N
XLogP2.17
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile (CID 127265784) is 4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile is Cc1c(C=Cc2ccncc2C#N)cnn1C.
What is the InChIKey of 4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile?
The InChIKey is NQDGSYVTYNBVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-10-12(9-16-17(10)2)4-3-11-5-6-15-8-13(11)7-14/h3-6,8-9H,1-2H3.
What are the key properties of 4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile?
4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,5-dimethylpyrazol-4-yl)ethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 127265784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).