3-(2,2-dimethylpropyl)-2-phenylindazole

C18H20N2 — CID 25217909

IUPAC3-(2,2-dimethylpropyl)-2-phenylindazole
SMILESCC(C)(C)Cc1c2ccccc2nn1-c1ccccc1
InChIInChI=1S/C18H20N2/c1-18(2,3)13-17-15-11-7-8-12-16(15)19-20(17)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyBIYBTPPJBAKTOZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.61
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-2-phenylindazole

3-(2,2-dimethylpropyl)-2-phenylindazole (PubChem CID 25217909) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-2-phenylindazole.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-2-phenylindazole
PubChem CID25217909
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-(2,2-dimethylpropyl)-2-phenylindazole
SMILESCC(C)(C)Cc1c2ccccc2nn1-c1ccccc1
InChIInChI=1S/C18H20N2/c1-18(2,3)13-17-15-11-7-8-12-16(15)19-20(17)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyBIYBTPPJBAKTOZ-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-2-phenylindazole?
The IUPAC name of 3-(2,2-dimethylpropyl)-2-phenylindazole (CID 25217909) is 3-(2,2-dimethylpropyl)-2-phenylindazole.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-2-phenylindazole?
The canonical SMILES for 3-(2,2-dimethylpropyl)-2-phenylindazole is CC(C)(C)Cc1c2ccccc2nn1-c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-2-phenylindazole?
The InChIKey is BIYBTPPJBAKTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-18(2,3)13-17-15-11-7-8-12-16(15)19-20(17)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-2-phenylindazole?
3-(2,2-dimethylpropyl)-2-phenylindazole has a molecular weight of 264.37 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-2-phenylindazole is sourced from PubChem (CID 25217909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).