3-methoxy-2-propan-2-ylindazole

C11H14N2O — CID 11600822

IUPAC3-methoxy-2-propan-2-ylindazole
SMILESCOc1c2ccccc2nn1C(C)C
InChIInChI=1S/C11H14N2O/c1-8(2)13-11(14-3)9-6-4-5-7-10(9)12-13/h4-8H,1-3H3
InChIKeyJPIKBGASUUCZEW-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.63
Rot. Bonds2

About 3-methoxy-2-propan-2-ylindazole

3-methoxy-2-propan-2-ylindazole (PubChem CID 11600822) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-methoxy-2-propan-2-ylindazole.

Molecular Properties

Compound Name3-methoxy-2-propan-2-ylindazole
PubChem CID11600822
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-methoxy-2-propan-2-ylindazole
SMILESCOc1c2ccccc2nn1C(C)C
InChIInChI=1S/C11H14N2O/c1-8(2)13-11(14-3)9-6-4-5-7-10(9)12-13/h4-8H,1-3H3
InChIKeyJPIKBGASUUCZEW-UHFFFAOYSA-N
XLogP2.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propan-2-ylindazole?
The IUPAC name of 3-methoxy-2-propan-2-ylindazole (CID 11600822) is 3-methoxy-2-propan-2-ylindazole.
What is the SMILES notation for 3-methoxy-2-propan-2-ylindazole?
The canonical SMILES for 3-methoxy-2-propan-2-ylindazole is COc1c2ccccc2nn1C(C)C.
What is the InChIKey of 3-methoxy-2-propan-2-ylindazole?
The InChIKey is JPIKBGASUUCZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(2)13-11(14-3)9-6-4-5-7-10(9)12-13/h4-8H,1-3H3.
What are the key properties of 3-methoxy-2-propan-2-ylindazole?
3-methoxy-2-propan-2-ylindazole has a molecular weight of 190.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propan-2-ylindazole is sourced from PubChem (CID 11600822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).