5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile

C14H15N3O — CID 116858674

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

About 5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile

5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile (PubChem CID 116858674) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
PubChem CID116858674
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
SMILESCOc1cc(C)cc(C)c1-c1cc(C#N)nn1C
InChIInChI=1S/C14H15N3O/c1-9-5-10(2)14(13(6-9)18-4)12-7-11(8-15)16-17(12)3/h5-7H,1-4H3
InChIKeyICAPGYJWJFTSKI-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

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Related Compounds

5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858633
5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carbonitrile
CID 39247018
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858619
1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile
CID 94962126
5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile
CID 116864702
2-methoxy-4,6-dimethylbenzonitrile
CID 50883188
[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82479524
[4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 84605977
5-(2-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858718
4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 116858273
6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142939
6-(2-methoxy-4,6-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854288

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile?
The IUPAC name of 5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile (CID 116858674) is 5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile?
The canonical SMILES for 5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile is COc1cc(C)cc(C)c1-c1cc(C#N)nn1C.
What is the InChIKey of 5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile?
The InChIKey is ICAPGYJWJFTSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-5-10(2)14(13(6-9)18-4)12-7-11(8-15)16-17(12)3/h5-7H,1-4H3.
What are the key properties of 5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile?
5-(2-methoxy-4,6-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-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 116858674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).