4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile

C14H15N3O — CID 107663250

IUPAC4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
SMILESCc1ccc(C#N)cc1OCCc1ccnn1C
InChIInChI=1S/C14H15N3O/c1-11-3-4-12(10-15)9-14(11)18-8-6-13-5-7-16-17(13)2/h3-5,7,9H,6,8H2,1-2H3
InChIKeyOTOKAZYQJCFZOG-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.22
Rot. Bonds4

About 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile

4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile (PubChem CID 107663250) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
PubChem CID107663250
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
SMILESCc1ccc(C#N)cc1OCCc1ccnn1C
InChIInChI=1S/C14H15N3O/c1-11-3-4-12(10-15)9-14(11)18-8-6-13-5-7-16-17(13)2/h3-5,7,9H,6,8H2,1-2H3
InChIKeyOTOKAZYQJCFZOG-UHFFFAOYSA-N
XLogP2.22
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
3,5-dimethyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
CID 103002570
4-methyl-3-(2-pyrazol-1-ylethoxy)benzonitrile
CID 113256433
3-amino-5-iodo-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile
CID 102999353
5-[2-[5-(3-chloroprop-1-ynyl)-2-fluorophenoxy]ethyl]-1-methylpyrazole
CID 103012928
4-methyl-3-pyrimidin-2-yloxybenzonitrile
CID 70098309
(1R)-1-[3-methyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003603
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile
CID 103760393
5-[2-(2,5-dichlorophenoxy)ethyl]-1-methylpyrazole
CID 103016138
4-methyl-3-[2-(4-methylpiperazin-1-yl)ethoxy]benzonitrile
CID 107663227
5-[2-[2-(bromomethyl)-4-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003791

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile?
The IUPAC name of 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile (CID 107663250) is 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile.
What is the SMILES notation for 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile?
The canonical SMILES for 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile is Cc1ccc(C#N)cc1OCCc1ccnn1C.
What is the InChIKey of 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile?
The InChIKey is OTOKAZYQJCFZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-3-4-12(10-15)9-14(11)18-8-6-13-5-7-16-17(13)2/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile?
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]benzonitrile is sourced from PubChem (CID 107663250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).