1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole

C13H16N2O3 — CID 71521229

IUPAC1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole
SMILESCOc1cc(OC)c(-c2ccnn2C)c(OC)c1
InChIInChI=1S/C13H16N2O3/c1-15-10(5-6-14-15)13-11(17-3)7-9(16-2)8-12(13)18-4/h5-8H,1-4H3
InChIKeyAOXDRIGYSZJMDD-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.11
Rot. Bonds4

About 1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole

1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole (PubChem CID 71521229) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole
PubChem CID71521229
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole
SMILESCOc1cc(OC)c(-c2ccnn2C)c(OC)c1
InChIInChI=1S/C13H16N2O3/c1-15-10(5-6-14-15)13-11(17-3)7-9(16-2)8-12(13)18-4/h5-8H,1-4H3
InChIKeyAOXDRIGYSZJMDD-UHFFFAOYSA-N
XLogP2.11
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-methoxy-1,3-benzodioxol-5-yl)-1-methylpyrazole
CID 162636292
5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
CID 116869159
[3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 171393046
4-methoxy-2-(2-methylpyrazol-3-yl)phenol
CID 136869284
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole
CID 116869158
3-methoxy-2-(2-methylpyrazol-3-yl)pyridine
CID 173069965
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
5-(2,3-dichloro-4-methoxyphenyl)-1-methylpyrazole
CID 116869199
5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
CID 116869160
2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one
CID 71559443
5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one
CID 71559551

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole?
The IUPAC name of 1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole (CID 71521229) is 1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole.
What is the SMILES notation for 1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole?
The canonical SMILES for 1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole is COc1cc(OC)c(-c2ccnn2C)c(OC)c1.
What is the InChIKey of 1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole?
The InChIKey is AOXDRIGYSZJMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-10(5-6-14-15)13-11(17-3)7-9(16-2)8-12(13)18-4/h5-8H,1-4H3.
What are the key properties of 1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole?
1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole has a molecular weight of 248.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole is sourced from PubChem (CID 71521229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).