5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole

C21H18N2OS — CID 135065262

IUPAC5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole
SMILESCOc1ccc(-c2ccc(-c3cc(-c4cccs4)nn3C)cc2)cc1
InChIInChI=1S/C21H18N2OS/c1-23-20(14-19(22-23)21-4-3-13-25-21)17-7-5-15(6-8-17)16-9-11-18(24-2)12-10-16/h3-14H,1-2H3
InChIKeyZRWFWNARIVRZOS-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.49
Rot. Bonds4

About 5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole

5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole (PubChem CID 135065262) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole
PubChem CID135065262
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole
SMILESCOc1ccc(-c2ccc(-c3cc(-c4cccs4)nn3C)cc2)cc1
InChIInChI=1S/C21H18N2OS/c1-23-20(14-19(22-23)21-4-3-13-25-21)17-7-5-15(6-8-17)16-9-11-18(24-2)12-10-16/h3-14H,1-2H3
InChIKeyZRWFWNARIVRZOS-UHFFFAOYSA-N
XLogP5.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole?
The IUPAC name of 5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole (CID 135065262) is 5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole?
The canonical SMILES for 5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole is COc1ccc(-c2ccc(-c3cc(-c4cccs4)nn3C)cc2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole?
The InChIKey is ZRWFWNARIVRZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-23-20(14-19(22-23)21-4-3-13-25-21)17-7-5-15(6-8-17)16-9-11-18(24-2)12-10-16/h3-14H,1-2H3.
What are the key properties of 5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole?
5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole has a molecular weight of 346.46 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole is sourced from PubChem (CID 135065262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).