5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile

C14H15N3O — CID 116858633

IUPAC5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
SMILESCOc1cc(C)c(C)cc1-c1cc(C#N)nn1C
InChIInChI=1S/C14H15N3O/c1-9-5-12(14(18-4)6-10(9)2)13-7-11(8-15)16-17(13)3/h5-7H,1-4H3
InChIKeyCFUWOSCCQXAUGV-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.58
Rot. Bonds2

About 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile

5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile (PubChem CID 116858633) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
PubChem CID116858633
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
SMILESCOc1cc(C)c(C)cc1-c1cc(C#N)nn1C
InChIInChI=1S/C14H15N3O/c1-9-5-12(14(18-4)6-10(9)2)13-7-11(8-15)16-17(13)3/h5-7H,1-4H3
InChIKeyCFUWOSCCQXAUGV-UHFFFAOYSA-N
XLogP2.58
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile 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-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858674
5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carbonitrile
CID 39247018
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858619
5-(2-methoxy-4,5-dimethylphenyl)-1,2-dimethylpyrrole-3-carbonitrile
CID 116828589
5-(2-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858718
5-(5-chloro-2-methoxy-4-methylphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827428
5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
CID 116869159
ethane;5-ethyl-1-methylpyrazole-3-carbonitrile
CID 177051702
[5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82485568
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,3-dimethylpyrazole
CID 116856836
4-methoxy-1-methylpyrazole-5-carbonitrile
CID 15184252
5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole
CID 116856768

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile?
The IUPAC name of 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile (CID 116858633) is 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile?
The canonical SMILES for 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile is COc1cc(C)c(C)cc1-c1cc(C#N)nn1C.
What is the InChIKey of 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile?
The InChIKey is CFUWOSCCQXAUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-5-12(14(18-4)6-10(9)2)13-7-11(8-15)16-17(13)3/h5-7H,1-4H3.
What are the key properties of 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile?
5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 116858633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).