6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile

C11H9ClN4 — CID 62129175

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile
SMILESCc1nn(-c2ccc(C#N)cn2)c(C)c1Cl
InChIInChI=1S/C11H9ClN4/c1-7-11(12)8(2)16(15-7)10-4-3-9(5-13)6-14-10/h3-4,6H,1-2H3
InChIKeyMPPYZYXOYNXXRJ-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.41
Rot. Bonds1

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile

6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile (PubChem CID 62129175) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile
PubChem CID62129175
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile
SMILESCc1nn(-c2ccc(C#N)cn2)c(C)c1Cl
InChIInChI=1S/C11H9ClN4/c1-7-11(12)8(2)16(15-7)10-4-3-9(5-13)6-14-10/h3-4,6H,1-2H3
InChIKeyMPPYZYXOYNXXRJ-UHFFFAOYSA-N
XLogP2.41
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile (CID 62129175) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile is Cc1nn(-c2ccc(C#N)cn2)c(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile?
The InChIKey is MPPYZYXOYNXXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c1-7-11(12)8(2)16(15-7)10-4-3-9(5-13)6-14-10/h3-4,6H,1-2H3.
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile has a molecular weight of 232.67 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 62129175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).