[1-(cyclobutylmethyl)indazol-5-yl]boronic acid

C12H15BN2O2 — CID 134714812

IUPAC[1-(cyclobutylmethyl)indazol-5-yl]boronic acid
SMILESOB(O)c1ccc2c(cnn2CC2CCC2)c1
InChIInChI=1S/C12H15BN2O2/c16-13(17)11-4-5-12-10(6-11)7-14-15(12)8-9-2-1-3-9/h4-7,9,16-17H,1-3,8H2
InChIKeyATYHLMVZPLHDST-UHFFFAOYSA-N
MW230.08 g/mol
LogP0.52
Rot. Bonds3

About [1-(cyclobutylmethyl)indazol-5-yl]boronic acid

[1-(cyclobutylmethyl)indazol-5-yl]boronic acid (PubChem CID 134714812) has the molecular formula C12H15BN2O2 and a molecular weight of 230.08 g/mol. Its IUPAC name is [1-(cyclobutylmethyl)indazol-5-yl]boronic acid.

Molecular Properties

Compound Name[1-(cyclobutylmethyl)indazol-5-yl]boronic acid
PubChem CID134714812
Molecular FormulaC12H15BN2O2
Molecular Weight230.08 g/mol
Exact Mass230.12
IUPAC Name[1-(cyclobutylmethyl)indazol-5-yl]boronic acid
SMILESOB(O)c1ccc2c(cnn2CC2CCC2)c1
InChIInChI=1S/C12H15BN2O2/c16-13(17)11-4-5-12-10(6-11)7-14-15(12)8-9-2-1-3-9/h4-7,9,16-17H,1-3,8H2
InChIKeyATYHLMVZPLHDST-UHFFFAOYSA-N
XLogP0.52
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[1-(cyclopropylmethyl)indazol-5-yl]methanol
CID 90133453
3-(indazol-1-ylmethyl)cyclohexan-1-amine
CID 67985266
1-(cyclopropylmethyl)indazol-6-amine
CID 43646564
6-bromo-1-(cyclopropylmethyl)pyrazolo[4,3-c]pyridine
CID 177037175
1-(cyclohexylmethyl)pyrazolo[4,3-c]pyridin-6-amine
CID 166460327
5-bromo-1-(oxetan-3-ylmethyl)indazole
CID 166147252
1-[(3-propan-2-ylcyclohexyl)methyl]indazole
CID 171430317
[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]indazol-5-yl]boronic acid
CID 67410628
5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole
CID 141364979
1-(oxetan-2-ylmethyl)indazole-5-carboxylic acid
CID 155191752
5-bromo-1-(oxan-2-yl)indazole;1,1-diiodoethane;diiodovanadium;[1-(oxan-2-yl)indazol-5-yl]boronic acid
CID 158650805
[4-[1-(cyclobutylmethyl)indazol-6-yl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 118621502

Frequently Asked Questions

What is the IUPAC name of [1-(cyclobutylmethyl)indazol-5-yl]boronic acid?
The IUPAC name of [1-(cyclobutylmethyl)indazol-5-yl]boronic acid (CID 134714812) is [1-(cyclobutylmethyl)indazol-5-yl]boronic acid.
What is the SMILES notation for [1-(cyclobutylmethyl)indazol-5-yl]boronic acid?
The canonical SMILES for [1-(cyclobutylmethyl)indazol-5-yl]boronic acid is OB(O)c1ccc2c(cnn2CC2CCC2)c1.
What is the InChIKey of [1-(cyclobutylmethyl)indazol-5-yl]boronic acid?
The InChIKey is ATYHLMVZPLHDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BN2O2/c16-13(17)11-4-5-12-10(6-11)7-14-15(12)8-9-2-1-3-9/h4-7,9,16-17H,1-3,8H2.
What are the key properties of [1-(cyclobutylmethyl)indazol-5-yl]boronic acid?
[1-(cyclobutylmethyl)indazol-5-yl]boronic acid has a molecular weight of 230.08 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclobutylmethyl)indazol-5-yl]boronic acid is sourced from PubChem (CID 134714812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).