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

C21H17ClN2 — CID 11631344

IUPAC2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole
SMILESCc1ccc(-c2c3ccccc3nn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClN2/c1-15-6-10-17(11-7-15)21-19-4-2-3-5-20(19)23-24(21)14-16-8-12-18(22)13-9-16/h2-13H,14H2,1H3
InChIKeyCLUXFAXCBHHVSF-UHFFFAOYSA-N
MW332.83 g/mol
LogP5.71
Rot. Bonds3

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

2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole (PubChem CID 11631344) has the molecular formula C21H17ClN2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole
PubChem CID11631344
Molecular FormulaC21H17ClN2
Molecular Weight332.83 g/mol
Exact Mass332.11
IUPAC Name2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole
SMILESCc1ccc(-c2c3ccccc3nn2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClN2/c1-15-6-10-17(11-7-15)21-19-4-2-3-5-20(19)23-24(21)14-16-8-12-18(22)13-9-16/h2-13H,14H2,1H3
InChIKeyCLUXFAXCBHHVSF-UHFFFAOYSA-N
XLogP5.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.83
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole (CID 11631344) is 2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole is Cc1ccc(-c2c3ccccc3nn2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole?
The InChIKey is CLUXFAXCBHHVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2/c1-15-6-10-17(11-7-15)21-19-4-2-3-5-20(19)23-24(21)14-16-8-12-18(22)13-9-16/h2-13H,14H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole?
2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole has a molecular weight of 332.83 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)indazole is sourced from PubChem (CID 11631344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).