5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole

C13H16N2O2 — CID 116869159

IUPAC5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
SMILESCOc1cc(-c2ccnn2C)c(OC)cc1C
InChIInChI=1S/C13H16N2O2/c1-9-7-13(17-4)10(8-12(9)16-3)11-5-6-14-15(11)2/h5-8H,1-4H3
InChIKeyVJAFGBAKYPMIOJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.41
Rot. Bonds3

About 5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole

5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole (PubChem CID 116869159) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
PubChem CID116869159
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
SMILESCOc1cc(-c2ccnn2C)c(OC)cc1C
InChIInChI=1S/C13H16N2O2/c1-9-7-13(17-4)10(8-12(9)16-3)11-5-6-14-15(11)2/h5-8H,1-4H3
InChIKeyVJAFGBAKYPMIOJ-UHFFFAOYSA-N
XLogP2.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 162636292
5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole
CID 116869158
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
CID 116869160
5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole
CID 116869199
1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole
CID 71521229
5-(2,4-dimethylphenyl)-1-methylpyrazole
CID 91605877
1-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one;1-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]propan-2-one
CID 158858743
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
4-methoxy-2-(2-methylpyrazol-3-yl)phenol
CID 136869284
[3-methyl-4-(2-methylpyrazol-3-yl)phenyl]methanol
CID 171393071
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole?
The IUPAC name of 5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole (CID 116869159) is 5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole.
What is the SMILES notation for 5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole?
The canonical SMILES for 5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole is COc1cc(-c2ccnn2C)c(OC)cc1C.
What is the InChIKey of 5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole?
The InChIKey is VJAFGBAKYPMIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-7-13(17-4)10(8-12(9)16-3)11-5-6-14-15(11)2/h5-8H,1-4H3.
What are the key properties of 5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole?
5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole has a molecular weight of 232.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole is sourced from PubChem (CID 116869159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).