4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole

C13H16N2O — CID 102184444

IUPAC4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole
SMILESCOc1ccc(-c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C13H16N2O/c1-9-13(10(2)15(3)14-9)11-5-7-12(16-4)8-6-11/h5-8H,1-4H3
InChIKeyZIBWFDSARSGBNF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.71
Rot. Bonds2

About 4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole

4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole (PubChem CID 102184444) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole
PubChem CID102184444
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole
SMILESCOc1ccc(-c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C13H16N2O/c1-9-13(10(2)15(3)14-9)11-5-7-12(16-4)8-6-11/h5-8H,1-4H3
InChIKeyZIBWFDSARSGBNF-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 4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole (CID 102184444) is 4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole is COc1ccc(-c2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole?
The InChIKey is ZIBWFDSARSGBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-13(10(2)15(3)14-9)11-5-7-12(16-4)8-6-11/h5-8H,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole?
4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole 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 4-(4-methoxyphenyl)-1,3,5-trimethylpyrazole is sourced from PubChem (CID 102184444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).