4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile

C12H11N3 — CID 62301450

IUPAC4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile
SMILESCc1ccc(C#N)c(-n2cc(C)cn2)c1
InChIInChI=1S/C12H11N3/c1-9-3-4-11(6-13)12(5-9)15-8-10(2)7-14-15/h3-5,7-8H,1-2H3
InChIKeyYNVCNGPGEMZSCS-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.36
Rot. Bonds1

About 4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile

4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile (PubChem CID 62301450) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile
PubChem CID62301450
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile
SMILESCc1ccc(C#N)c(-n2cc(C)cn2)c1
InChIInChI=1S/C12H11N3/c1-9-3-4-11(6-13)12(5-9)15-8-10(2)7-14-15/h3-5,7-8H,1-2H3
InChIKeyYNVCNGPGEMZSCS-UHFFFAOYSA-N
XLogP2.36
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile 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 4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile?
The IUPAC name of 4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile (CID 62301450) is 4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile.
What is the SMILES notation for 4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile?
The canonical SMILES for 4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile is Cc1ccc(C#N)c(-n2cc(C)cn2)c1.
What is the InChIKey of 4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile?
The InChIKey is YNVCNGPGEMZSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-9-3-4-11(6-13)12(5-9)15-8-10(2)7-14-15/h3-5,7-8H,1-2H3.
What are the key properties of 4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile?
4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpyrazol-1-yl)benzonitrile is sourced from PubChem (CID 62301450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).