4-methyl-3-(4-methylphenyl)-1H-indazole

C15H14N2 — CID 173176651

IUPAC4-methyl-3-(4-methylphenyl)-1H-indazole
SMILESCc1ccc(-c2n[nH]c3cccc(C)c23)cc1
InChIInChI=1S/C15H14N2/c1-10-6-8-12(9-7-10)15-14-11(2)4-3-5-13(14)16-17-15/h3-9H,1-2H3,(H,16,17)
InChIKeyIRJJYOAWASZNGG-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.85
Rot. Bonds1

About 4-methyl-3-(4-methylphenyl)-1H-indazole

4-methyl-3-(4-methylphenyl)-1H-indazole (PubChem CID 173176651) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methyl-3-(4-methylphenyl)-1H-indazole.

Molecular Properties

Compound Name4-methyl-3-(4-methylphenyl)-1H-indazole
PubChem CID173176651
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-methyl-3-(4-methylphenyl)-1H-indazole
SMILESCc1ccc(-c2n[nH]c3cccc(C)c23)cc1
InChIInChI=1S/C15H14N2/c1-10-6-8-12(9-7-10)15-14-11(2)4-3-5-13(14)16-17-15/h3-9H,1-2H3,(H,16,17)
InChIKeyIRJJYOAWASZNGG-UHFFFAOYSA-N
XLogP3.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylphenyl)-1H-indazole?
The IUPAC name of 4-methyl-3-(4-methylphenyl)-1H-indazole (CID 173176651) is 4-methyl-3-(4-methylphenyl)-1H-indazole.
What is the SMILES notation for 4-methyl-3-(4-methylphenyl)-1H-indazole?
The canonical SMILES for 4-methyl-3-(4-methylphenyl)-1H-indazole is Cc1ccc(-c2n[nH]c3cccc(C)c23)cc1.
What is the InChIKey of 4-methyl-3-(4-methylphenyl)-1H-indazole?
The InChIKey is IRJJYOAWASZNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-10-6-8-12(9-7-10)15-14-11(2)4-3-5-13(14)16-17-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of 4-methyl-3-(4-methylphenyl)-1H-indazole?
4-methyl-3-(4-methylphenyl)-1H-indazole has a molecular weight of 222.29 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylphenyl)-1H-indazole is sourced from PubChem (CID 173176651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).