5-(2-propan-2-ylphenyl)-1H-indazole

C16H16N2 — CID 90645445

IUPAC5-(2-propan-2-ylphenyl)-1H-indazole
SMILESCC(C)c1ccccc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H16N2/c1-11(2)14-5-3-4-6-15(14)12-7-8-16-13(9-12)10-17-18-16/h3-11H,1-2H3,(H,17,18)
InChIKeyGNHMXTAFCQXTQG-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.35
Rot. Bonds2

About 5-(2-propan-2-ylphenyl)-1H-indazole

5-(2-propan-2-ylphenyl)-1H-indazole (PubChem CID 90645445) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-(2-propan-2-ylphenyl)-1H-indazole.

Molecular Properties

Compound Name5-(2-propan-2-ylphenyl)-1H-indazole
PubChem CID90645445
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name5-(2-propan-2-ylphenyl)-1H-indazole
SMILESCC(C)c1ccccc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H16N2/c1-11(2)14-5-3-4-6-15(14)12-7-8-16-13(9-12)10-17-18-16/h3-11H,1-2H3,(H,17,18)
InChIKeyGNHMXTAFCQXTQG-UHFFFAOYSA-N
XLogP4.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-ylphenyl)-1H-indazole?
The IUPAC name of 5-(2-propan-2-ylphenyl)-1H-indazole (CID 90645445) is 5-(2-propan-2-ylphenyl)-1H-indazole.
What is the SMILES notation for 5-(2-propan-2-ylphenyl)-1H-indazole?
The canonical SMILES for 5-(2-propan-2-ylphenyl)-1H-indazole is CC(C)c1ccccc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(2-propan-2-ylphenyl)-1H-indazole?
The InChIKey is GNHMXTAFCQXTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11(2)14-5-3-4-6-15(14)12-7-8-16-13(9-12)10-17-18-16/h3-11H,1-2H3,(H,17,18).
What are the key properties of 5-(2-propan-2-ylphenyl)-1H-indazole?
5-(2-propan-2-ylphenyl)-1H-indazole has a molecular weight of 236.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-ylphenyl)-1H-indazole is sourced from PubChem (CID 90645445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).