5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole

C13H16N2O2 — CID 116869160

IUPAC5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
SMILESCOc1ccc(-c2ccnn2C)c(OC)c1C
InChIInChI=1S/C13H16N2O2/c1-9-12(16-3)6-5-10(13(9)17-4)11-7-8-14-15(11)2/h5-8H,1-4H3
InChIKeyAYNMXNURTDHRHT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.41
Rot. Bonds3

About 5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole

5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole (PubChem CID 116869160) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
PubChem CID116869160
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
SMILESCOc1ccc(-c2ccnn2C)c(OC)c1C
InChIInChI=1S/C13H16N2O2/c1-9-12(16-3)6-5-10(13(9)17-4)11-7-8-14-15(11)2/h5-8H,1-4H3
InChIKeyAYNMXNURTDHRHT-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-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole
CID 116869158
5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole
CID 116869199
5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
CID 116869159
[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82485187
5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827447
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 162636292
1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole
CID 71521229
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
5-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1-methylimidazol-2-amine
CID 84606683
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208
5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832377

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole?
The IUPAC name of 5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole (CID 116869160) is 5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole.
What is the SMILES notation for 5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole?
The canonical SMILES for 5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole is COc1ccc(-c2ccnn2C)c(OC)c1C.
What is the InChIKey of 5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole?
The InChIKey is AYNMXNURTDHRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-12(16-3)6-5-10(13(9)17-4)11-7-8-14-15(11)2/h5-8H,1-4H3.
What are the key properties of 5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole?
5-(2,4-dimethoxy-3-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-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole is sourced from PubChem (CID 116869160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).