5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole

C26H24N2 — CID 46192037

IUPAC5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole
SMILESCc1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H24N2/c1-19-11-13-21(14-12-19)26-18-25(27-28(26)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-4,9-18H,5-8H2,1H3
InChIKeyYAJSFKZARGRZBU-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.39
Rot. Bonds3

About 5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole

5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole (PubChem CID 46192037) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole
PubChem CID46192037
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole
SMILESCc1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H24N2/c1-19-11-13-21(14-12-19)26-18-25(27-28(26)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-4,9-18H,5-8H2,1H3
InChIKeyYAJSFKZARGRZBU-UHFFFAOYSA-N
XLogP6.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole?
The IUPAC name of 5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole (CID 46192037) is 5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole?
The canonical SMILES for 5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole is Cc1ccc(-c2cc(-c3ccc4c(c3)CCCC4)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole?
The InChIKey is YAJSFKZARGRZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-19-11-13-21(14-12-19)26-18-25(27-28(26)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-4,9-18H,5-8H2,1H3.
What are the key properties of 5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole?
5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole has a molecular weight of 364.49 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole is sourced from PubChem (CID 46192037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).