1-(4-fluorophenyl)-5-(2-methylphenyl)indazole

C20H15FN2 — CID 46830797

IUPAC1-(4-fluorophenyl)-5-(2-methylphenyl)indazole
SMILESCc1ccccc1-c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H15FN2/c1-14-4-2-3-5-19(14)15-6-11-20-16(12-15)13-22-23(20)18-9-7-17(21)8-10-18/h2-13H,1H3
InChIKeyQSKMILLSYSDJSW-UHFFFAOYSA-N
MW302.35 g/mol
LogP5.14
Rot. Bonds2

About 1-(4-fluorophenyl)-5-(2-methylphenyl)indazole

1-(4-fluorophenyl)-5-(2-methylphenyl)indazole (PubChem CID 46830797) has the molecular formula C20H15FN2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(2-methylphenyl)indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(2-methylphenyl)indazole
PubChem CID46830797
Molecular FormulaC20H15FN2
Molecular Weight302.35 g/mol
Exact Mass302.12
IUPAC Name1-(4-fluorophenyl)-5-(2-methylphenyl)indazole
SMILESCc1ccccc1-c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C20H15FN2/c1-14-4-2-3-5-19(14)15-6-11-20-16(12-15)13-22-23(20)18-9-7-17(21)8-10-18/h2-13H,1H3
InChIKeyQSKMILLSYSDJSW-UHFFFAOYSA-N
XLogP5.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.35
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(2-methylphenyl)indazole?
The IUPAC name of 1-(4-fluorophenyl)-5-(2-methylphenyl)indazole (CID 46830797) is 1-(4-fluorophenyl)-5-(2-methylphenyl)indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(2-methylphenyl)indazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-(2-methylphenyl)indazole is Cc1ccccc1-c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(2-methylphenyl)indazole?
The InChIKey is QSKMILLSYSDJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2/c1-14-4-2-3-5-19(14)15-6-11-20-16(12-15)13-22-23(20)18-9-7-17(21)8-10-18/h2-13H,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-(2-methylphenyl)indazole?
1-(4-fluorophenyl)-5-(2-methylphenyl)indazole has a molecular weight of 302.35 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(2-methylphenyl)indazole is sourced from PubChem (CID 46830797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).