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

C13H16N2O — CID 116869158

IUPAC5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole
SMILESCOc1ccc(-c2ccnn2C)c(C)c1C
InChIInChI=1S/C13H16N2O/c1-9-10(2)13(16-4)6-5-11(9)12-7-8-14-15(12)3/h5-8H,1-4H3
InChIKeyLKKZLJRHCGZNTF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.71
Rot. Bonds2

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

5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole (PubChem CID 116869158) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole
PubChem CID116869158
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole
SMILESCOc1ccc(-c2ccnn2C)c(C)c1C
InChIInChI=1S/C13H16N2O/c1-9-10(2)13(16-4)6-5-11(9)12-7-8-14-15(12)3/h5-8H,1-4H3
InChIKeyLKKZLJRHCGZNTF-UHFFFAOYSA-N
XLogP2.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole?
The IUPAC name of 5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole (CID 116869158) is 5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole.
What is the SMILES notation for 5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole?
The canonical SMILES for 5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole is COc1ccc(-c2ccnn2C)c(C)c1C.
What is the InChIKey of 5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole?
The InChIKey is LKKZLJRHCGZNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-10(2)13(16-4)6-5-11(9)12-7-8-14-15(12)3/h5-8H,1-4H3.
What are the key properties of 5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole?
5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole has a molecular weight of 216.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole is sourced from PubChem (CID 116869158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).