3-[(2-methylpropan-2-yl)oxy]-1H-indazole

C11H14N2O — CID 146573019

IUPAC3-[(2-methylpropan-2-yl)oxy]-1H-indazole
SMILESCC(C)(C)Oc1n[nH]c2ccccc12
InChIInChI=1S/C11H14N2O/c1-11(2,3)14-10-8-6-4-5-7-9(8)12-13-10/h4-7H,1-3H3,(H,12,13)
InChIKeyHKLIJKYINKCPLR-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.74
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxy]-1H-indazole

3-[(2-methylpropan-2-yl)oxy]-1H-indazole (PubChem CID 146573019) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1H-indazole.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1H-indazole
PubChem CID146573019
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1H-indazole
SMILESCC(C)(C)Oc1n[nH]c2ccccc12
InChIInChI=1S/C11H14N2O/c1-11(2,3)14-10-8-6-4-5-7-9(8)12-13-10/h4-7H,1-3H3,(H,12,13)
InChIKeyHKLIJKYINKCPLR-UHFFFAOYSA-N
XLogP2.74
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1H-indazole?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1H-indazole (CID 146573019) is 3-[(2-methylpropan-2-yl)oxy]-1H-indazole.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1H-indazole?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1H-indazole is CC(C)(C)Oc1n[nH]c2ccccc12.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1H-indazole?
The InChIKey is HKLIJKYINKCPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2,3)14-10-8-6-4-5-7-9(8)12-13-10/h4-7H,1-3H3,(H,12,13).
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1H-indazole?
3-[(2-methylpropan-2-yl)oxy]-1H-indazole has a molecular weight of 190.25 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1H-indazole is sourced from PubChem (CID 146573019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).