3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole

C17H16N2O — CID 57266359

IUPAC3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole
SMILESCOc1ccc(-c2ccn(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16N2O/c1-13-3-7-15(8-4-13)19-12-11-17(18-19)14-5-9-16(20-2)10-6-14/h3-12H,1-2H3
InChIKeyZHWAIFOTVARFBX-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.86
Rot. Bonds3

About 3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole

3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole (PubChem CID 57266359) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole
PubChem CID57266359
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole
SMILESCOc1ccc(-c2ccn(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16N2O/c1-13-3-7-15(8-4-13)19-12-11-17(18-19)14-5-9-16(20-2)10-6-14/h3-12H,1-2H3
InChIKeyZHWAIFOTVARFBX-UHFFFAOYSA-N
XLogP3.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole (CID 57266359) is 3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole is COc1ccc(-c2ccn(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole?
The InChIKey is ZHWAIFOTVARFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-3-7-15(8-4-13)19-12-11-17(18-19)14-5-9-16(20-2)10-6-14/h3-12H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole?
3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole has a molecular weight of 264.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 57266359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).