2-butyl-3-methoxyindazole

C12H16N2O — CID 118717007

IUPAC2-butyl-3-methoxyindazole
SMILESCCCCn1nc2ccccc2c1OC
InChIInChI=1S/C12H16N2O/c1-3-4-9-14-12(15-2)10-7-5-6-8-11(10)13-14/h5-8H,3-4,9H2,1-2H3
InChIKeyWKVCKNQZYLXMOY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.85
Rot. Bonds4

About 2-butyl-3-methoxyindazole

2-butyl-3-methoxyindazole (PubChem CID 118717007) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-butyl-3-methoxyindazole.

Molecular Properties

Compound Name2-butyl-3-methoxyindazole
PubChem CID118717007
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-butyl-3-methoxyindazole
SMILESCCCCn1nc2ccccc2c1OC
InChIInChI=1S/C12H16N2O/c1-3-4-9-14-12(15-2)10-7-5-6-8-11(10)13-14/h5-8H,3-4,9H2,1-2H3
InChIKeyWKVCKNQZYLXMOY-UHFFFAOYSA-N
XLogP2.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methoxyindazole?
The IUPAC name of 2-butyl-3-methoxyindazole (CID 118717007) is 2-butyl-3-methoxyindazole.
What is the SMILES notation for 2-butyl-3-methoxyindazole?
The canonical SMILES for 2-butyl-3-methoxyindazole is CCCCn1nc2ccccc2c1OC.
What is the InChIKey of 2-butyl-3-methoxyindazole?
The InChIKey is WKVCKNQZYLXMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-4-9-14-12(15-2)10-7-5-6-8-11(10)13-14/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 2-butyl-3-methoxyindazole?
2-butyl-3-methoxyindazole has a molecular weight of 204.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methoxyindazole is sourced from PubChem (CID 118717007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).