2-benzyl-3-(4-methylphenyl)indazole

C21H18N2 — CID 11522253

IUPAC2-benzyl-3-(4-methylphenyl)indazole
SMILESCc1ccc(-c2c3ccccc3nn2Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2/c1-16-11-13-18(14-12-16)21-19-9-5-6-10-20(19)22-23(21)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeySKTGZYCNZVEAIJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.06
Rot. Bonds3

About 2-benzyl-3-(4-methylphenyl)indazole

2-benzyl-3-(4-methylphenyl)indazole (PubChem CID 11522253) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-benzyl-3-(4-methylphenyl)indazole.

Molecular Properties

Compound Name2-benzyl-3-(4-methylphenyl)indazole
PubChem CID11522253
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name2-benzyl-3-(4-methylphenyl)indazole
SMILESCc1ccc(-c2c3ccccc3nn2Cc2ccccc2)cc1
InChIInChI=1S/C21H18N2/c1-16-11-13-18(14-12-16)21-19-9-5-6-10-20(19)22-23(21)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeySKTGZYCNZVEAIJ-UHFFFAOYSA-N
XLogP5.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-methylphenyl)indazole?
The IUPAC name of 2-benzyl-3-(4-methylphenyl)indazole (CID 11522253) is 2-benzyl-3-(4-methylphenyl)indazole.
What is the SMILES notation for 2-benzyl-3-(4-methylphenyl)indazole?
The canonical SMILES for 2-benzyl-3-(4-methylphenyl)indazole is Cc1ccc(-c2c3ccccc3nn2Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-3-(4-methylphenyl)indazole?
The InChIKey is SKTGZYCNZVEAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-16-11-13-18(14-12-16)21-19-9-5-6-10-20(19)22-23(21)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 2-benzyl-3-(4-methylphenyl)indazole?
2-benzyl-3-(4-methylphenyl)indazole has a molecular weight of 298.39 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-methylphenyl)indazole is sourced from PubChem (CID 11522253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).