3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole

C22H20N2 — CID 11515150

IUPAC3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole
SMILESCc1ccc(Cn2nc3ccccc3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N2/c1-16-7-11-18(12-8-16)15-24-22(19-13-9-17(2)10-14-19)20-5-3-4-6-21(20)23-24/h3-14H,15H2,1-2H3
InChIKeyYHDPAXYXJFIYGV-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.37
Rot. Bonds3

About 3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole

3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole (PubChem CID 11515150) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole
PubChem CID11515150
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole
SMILESCc1ccc(Cn2nc3ccccc3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20N2/c1-16-7-11-18(12-8-16)15-24-22(19-13-9-17(2)10-14-19)20-5-3-4-6-21(20)23-24/h3-14H,15H2,1-2H3
InChIKeyYHDPAXYXJFIYGV-UHFFFAOYSA-N
XLogP5.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole?
The IUPAC name of 3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole (CID 11515150) is 3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole.
What is the SMILES notation for 3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole?
The canonical SMILES for 3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole is Cc1ccc(Cn2nc3ccccc3c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole?
The InChIKey is YHDPAXYXJFIYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-16-7-11-18(12-8-16)15-24-22(19-13-9-17(2)10-14-19)20-5-3-4-6-21(20)23-24/h3-14H,15H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole?
3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole has a molecular weight of 312.42 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]indazole is sourced from PubChem (CID 11515150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).