5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile

C11H10N4S — CID 115489973

IUPAC5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile
SMILESCc1cc(Sc2ccc(C#N)nc2)n(C)n1
InChIInChI=1S/C11H10N4S/c1-8-5-11(15(2)14-8)16-10-4-3-9(6-12)13-7-10/h3-5,7H,1-2H3
InChIKeyYQFVIYHQZRERSK-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.15
Rot. Bonds2

About 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile

5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile (PubChem CID 115489973) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile
PubChem CID115489973
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile
SMILESCc1cc(Sc2ccc(C#N)nc2)n(C)n1
InChIInChI=1S/C11H10N4S/c1-8-5-11(15(2)14-8)16-10-4-3-9(6-12)13-7-10/h3-5,7H,1-2H3
InChIKeyYQFVIYHQZRERSK-UHFFFAOYSA-N
XLogP2.15
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile (CID 115489973) is 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile is Cc1cc(Sc2ccc(C#N)nc2)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile?
The InChIKey is YQFVIYHQZRERSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-8-5-11(15(2)14-8)16-10-4-3-9(6-12)13-7-10/h3-5,7H,1-2H3.
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile?
5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile has a molecular weight of 230.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine-2-carbonitrile is sourced from PubChem (CID 115489973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).