1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid

C12H12N2O3 — CID 155191752

IUPAC1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(cnn2CC2CCO2)c1
InChIInChI=1S/C12H12N2O3/c15-12(16)8-1-2-11-9(5-8)6-13-14(11)7-10-3-4-17-10/h1-2,5-6,10H,3-4,7H2,(H,15,16)
InChIKeyXDRYEHQRBRVERF-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.52
Rot. Bonds3

About 1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid

1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid (PubChem CID 155191752) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid
PubChem CID155191752
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(cnn2CC2CCO2)c1
InChIInChI=1S/C12H12N2O3/c15-12(16)8-1-2-11-9(5-8)6-13-14(11)7-10-3-4-17-10/h1-2,5-6,10H,3-4,7H2,(H,15,16)
InChIKeyXDRYEHQRBRVERF-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid?
The IUPAC name of 1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid (CID 155191752) is 1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid.
What is the SMILES notation for 1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid?
The canonical SMILES for 1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid is O=C(O)c1ccc2c(cnn2CC2CCO2)c1.
What is the InChIKey of 1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid?
The InChIKey is XDRYEHQRBRVERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-12(16)8-1-2-11-9(5-8)6-13-14(11)7-10-3-4-17-10/h1-2,5-6,10H,3-4,7H2,(H,15,16).
What are the key properties of 1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid?
1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid is sourced from PubChem (CID 155191752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).