1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole

C23H20N2O2 — CID 90030830

IUPAC1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole
SMILESCOc1ccc(-c2cccc(-c3ccnn3-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C23H20N2O2/c1-26-21-10-6-17(7-11-21)18-4-3-5-19(16-18)23-14-15-24-25(23)20-8-12-22(27-2)13-9-20/h3-16H,1-2H3
InChIKeyUMVRHERAWDTFGT-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.22
Rot. Bonds5

About 1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole

1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole (PubChem CID 90030830) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole
PubChem CID90030830
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole
SMILESCOc1ccc(-c2cccc(-c3ccnn3-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C23H20N2O2/c1-26-21-10-6-17(7-11-21)18-4-3-5-19(16-18)23-14-15-24-25(23)20-8-12-22(27-2)13-9-20/h3-16H,1-2H3
InChIKeyUMVRHERAWDTFGT-UHFFFAOYSA-N
XLogP5.22
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole (CID 90030830) is 1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole is COc1ccc(-c2cccc(-c3ccnn3-c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole?
The InChIKey is UMVRHERAWDTFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-26-21-10-6-17(7-11-21)18-4-3-5-19(16-18)23-14-15-24-25(23)20-8-12-22(27-2)13-9-20/h3-16H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole?
1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole has a molecular weight of 356.43 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-[3-(4-methoxyphenyl)phenyl]pyrazole is sourced from PubChem (CID 90030830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).