3-[2-(2-methylphenyl)ethenyl]-1H-indazole

C16H14N2 — CID 69049104

IUPAC3-[2-(2-methylphenyl)ethenyl]-1H-indazole
SMILESCc1ccccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C16H14N2/c1-12-6-2-3-7-13(12)10-11-16-14-8-4-5-9-15(14)17-18-16/h2-11H,1H3,(H,17,18)
InChIKeyUPSJYWCPWGZCTJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.04
Rot. Bonds2

About 3-[2-(2-methylphenyl)ethenyl]-1H-indazole

3-[2-(2-methylphenyl)ethenyl]-1H-indazole (PubChem CID 69049104) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)ethenyl]-1H-indazole.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)ethenyl]-1H-indazole
PubChem CID69049104
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name3-[2-(2-methylphenyl)ethenyl]-1H-indazole
SMILESCc1ccccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C16H14N2/c1-12-6-2-3-7-13(12)10-11-16-14-8-4-5-9-15(14)17-18-16/h2-11H,1H3,(H,17,18)
InChIKeyUPSJYWCPWGZCTJ-UHFFFAOYSA-N
XLogP4.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenyl)ethenyl]-1H-indazole?
The IUPAC name of 3-[2-(2-methylphenyl)ethenyl]-1H-indazole (CID 69049104) is 3-[2-(2-methylphenyl)ethenyl]-1H-indazole.
What is the SMILES notation for 3-[2-(2-methylphenyl)ethenyl]-1H-indazole?
The canonical SMILES for 3-[2-(2-methylphenyl)ethenyl]-1H-indazole is Cc1ccccc1C=Cc1n[nH]c2ccccc12.
What is the InChIKey of 3-[2-(2-methylphenyl)ethenyl]-1H-indazole?
The InChIKey is UPSJYWCPWGZCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-12-6-2-3-7-13(12)10-11-16-14-8-4-5-9-15(14)17-18-16/h2-11H,1H3,(H,17,18).
What are the key properties of 3-[2-(2-methylphenyl)ethenyl]-1H-indazole?
3-[2-(2-methylphenyl)ethenyl]-1H-indazole has a molecular weight of 234.30 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)ethenyl]-1H-indazole is sourced from PubChem (CID 69049104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).