5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole

C26H20N2 — CID 11428380

IUPAC5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole
SMILESCc1ccccc1-c1cc(-c2ccc3ccccc3c2)nn1-c1ccccc1
InChIInChI=1S/C26H20N2/c1-19-9-5-8-14-24(19)26-18-25(27-28(26)23-12-3-2-4-13-23)22-16-15-20-10-6-7-11-21(20)17-22/h2-18H,1H3
InChIKeyGHDJTKPMINAUSH-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.67
Rot. Bonds3

About 5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole

5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole (PubChem CID 11428380) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole
PubChem CID11428380
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole
SMILESCc1ccccc1-c1cc(-c2ccc3ccccc3c2)nn1-c1ccccc1
InChIInChI=1S/C26H20N2/c1-19-9-5-8-14-24(19)26-18-25(27-28(26)23-12-3-2-4-13-23)22-16-15-20-10-6-7-11-21(20)17-22/h2-18H,1H3
InChIKeyGHDJTKPMINAUSH-UHFFFAOYSA-N
XLogP6.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole?
The IUPAC name of 5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole (CID 11428380) is 5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole.
What is the SMILES notation for 5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole?
The canonical SMILES for 5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole is Cc1ccccc1-c1cc(-c2ccc3ccccc3c2)nn1-c1ccccc1.
What is the InChIKey of 5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole?
The InChIKey is GHDJTKPMINAUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-19-9-5-8-14-24(19)26-18-25(27-28(26)23-12-3-2-4-13-23)22-16-15-20-10-6-7-11-21(20)17-22/h2-18H,1H3.
What are the key properties of 5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole?
5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole has a molecular weight of 360.46 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-naphthalen-2-yl-1-phenylpyrazole is sourced from PubChem (CID 11428380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).