2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile

C12H8N4 — CID 173078180

IUPAC2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile
SMILESCn1nccc1-c1c(C#N)cccc1C#N
InChIInChI=1S/C12H8N4/c1-16-11(5-6-15-16)12-9(7-13)3-2-4-10(12)8-14/h2-6H,1H3
InChIKeySFLJTUVRVYCBPI-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.83
Rot. Bonds1

About 2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile

2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile (PubChem CID 173078180) has the molecular formula C12H8N4 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile
PubChem CID173078180
Molecular FormulaC12H8N4
Molecular Weight208.22 g/mol
Exact Mass208.07
IUPAC Name2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile
SMILESCn1nccc1-c1c(C#N)cccc1C#N
InChIInChI=1S/C12H8N4/c1-16-11(5-6-15-16)12-9(7-13)3-2-4-10(12)8-14/h2-6H,1H3
InChIKeySFLJTUVRVYCBPI-UHFFFAOYSA-N
XLogP1.83
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile (CID 173078180) is 2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile is Cn1nccc1-c1c(C#N)cccc1C#N.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile?
The InChIKey is SFLJTUVRVYCBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4/c1-16-11(5-6-15-16)12-9(7-13)3-2-4-10(12)8-14/h2-6H,1H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile?
2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile has a molecular weight of 208.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 173078180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).