3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid

C14H16N2O3 — CID 112757809

IUPAC3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid
SMILESCn1nc(OCC2CCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C14H16N2O3/c1-16-12-7-10(14(17)18)5-6-11(12)13(15-16)19-8-9-3-2-4-9/h5-7,9H,2-4,8H2,1H3,(H,17,18)
InChIKeyJCEBXPOELYJMPV-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.45
Rot. Bonds4

About 3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid

3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid (PubChem CID 112757809) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid
PubChem CID112757809
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid
SMILESCn1nc(OCC2CCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C14H16N2O3/c1-16-12-7-10(14(17)18)5-6-11(12)13(15-16)19-8-9-3-2-4-9/h5-7,9H,2-4,8H2,1H3,(H,17,18)
InChIKeyJCEBXPOELYJMPV-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid?
The IUPAC name of 3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid (CID 112757809) is 3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid.
What is the SMILES notation for 3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid?
The canonical SMILES for 3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid is Cn1nc(OCC2CCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid?
The InChIKey is JCEBXPOELYJMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-12-7-10(14(17)18)5-6-11(12)13(15-16)19-8-9-3-2-4-9/h5-7,9H,2-4,8H2,1H3,(H,17,18).
What are the key properties of 3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid?
3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid is sourced from PubChem (CID 112757809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).