2-(3,4-dimethylphenyl)indazole

C15H14N2 — CID 135041942

IUPAC2-(3,4-dimethylphenyl)indazole
SMILESCc1ccc(-n2cc3ccccc3n2)cc1C
InChIInChI=1S/C15H14N2/c1-11-7-8-14(9-12(11)2)17-10-13-5-3-4-6-15(13)16-17/h3-10H,1-2H3
InChIKeySEFRAXFQKLVPHL-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.64
Rot. Bonds1

About 2-(3,4-dimethylphenyl)indazole

2-(3,4-dimethylphenyl)indazole (PubChem CID 135041942) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)indazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)indazole
PubChem CID135041942
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-(3,4-dimethylphenyl)indazole
SMILESCc1ccc(-n2cc3ccccc3n2)cc1C
InChIInChI=1S/C15H14N2/c1-11-7-8-14(9-12(11)2)17-10-13-5-3-4-6-15(13)16-17/h3-10H,1-2H3
InChIKeySEFRAXFQKLVPHL-UHFFFAOYSA-N
XLogP3.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)indazole?
The IUPAC name of 2-(3,4-dimethylphenyl)indazole (CID 135041942) is 2-(3,4-dimethylphenyl)indazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)indazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)indazole is Cc1ccc(-n2cc3ccccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)indazole?
The InChIKey is SEFRAXFQKLVPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-7-8-14(9-12(11)2)17-10-13-5-3-4-6-15(13)16-17/h3-10H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)indazole?
2-(3,4-dimethylphenyl)indazole has a molecular weight of 222.29 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)indazole is sourced from PubChem (CID 135041942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).