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

C21H17ClN2 — CID 11702722

IUPAC2-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole
SMILESCc1ccc(-c2c3ccccc3nn2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H17ClN2/c1-15-9-11-17(12-10-15)21-19-7-2-3-8-20(19)23-24(21)14-16-5-4-6-18(22)13-16/h2-13H,14H2,1H3
InChIKeyDGABPNYSXAYULX-UHFFFAOYSA-N
MW332.83 g/mol
LogP5.71
Rot. Bonds3

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

2-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole (PubChem CID 11702722) has the molecular formula C21H17ClN2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole
PubChem CID11702722
Molecular FormulaC21H17ClN2
Molecular Weight332.83 g/mol
Exact Mass332.11
IUPAC Name2-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole
SMILESCc1ccc(-c2c3ccccc3nn2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H17ClN2/c1-15-9-11-17(12-10-15)21-19-7-2-3-8-20(19)23-24(21)14-16-5-4-6-18(22)13-16/h2-13H,14H2,1H3
InChIKeyDGABPNYSXAYULX-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole (CID 11702722) is 2-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole is Cc1ccc(-c2c3ccccc3nn2Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole?
The InChIKey is DGABPNYSXAYULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2/c1-15-9-11-17(12-10-15)21-19-7-2-3-8-20(19)23-24(21)14-16-5-4-6-18(22)13-16/h2-13H,14H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole?
2-[(3-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-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)indazole is sourced from PubChem (CID 11702722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).