3-cyclobutyl-1-methylindazol-4-ol

C12H14N2O — CID 136765375

IUPAC3-cyclobutyl-1-methylindazol-4-ol
SMILESCn1nc(C2CCC2)c2c(O)cccc21
InChIInChI=1S/C12H14N2O/c1-14-9-6-3-7-10(15)11(9)12(13-14)8-4-2-5-8/h3,6-8,15H,2,4-5H2,1H3
InChIKeyXFKCZBUAYZDMBR-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.55
Rot. Bonds1

About 3-cyclobutyl-1-methylindazol-4-ol

3-cyclobutyl-1-methylindazol-4-ol (PubChem CID 136765375) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-cyclobutyl-1-methylindazol-4-ol.

Molecular Properties

Compound Name3-cyclobutyl-1-methylindazol-4-ol
PubChem CID136765375
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-cyclobutyl-1-methylindazol-4-ol
SMILESCn1nc(C2CCC2)c2c(O)cccc21
InChIInChI=1S/C12H14N2O/c1-14-9-6-3-7-10(15)11(9)12(13-14)8-4-2-5-8/h3,6-8,15H,2,4-5H2,1H3
InChIKeyXFKCZBUAYZDMBR-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-methylindazol-4-ol?
The IUPAC name of 3-cyclobutyl-1-methylindazol-4-ol (CID 136765375) is 3-cyclobutyl-1-methylindazol-4-ol.
What is the SMILES notation for 3-cyclobutyl-1-methylindazol-4-ol?
The canonical SMILES for 3-cyclobutyl-1-methylindazol-4-ol is Cn1nc(C2CCC2)c2c(O)cccc21.
What is the InChIKey of 3-cyclobutyl-1-methylindazol-4-ol?
The InChIKey is XFKCZBUAYZDMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-14-9-6-3-7-10(15)11(9)12(13-14)8-4-2-5-8/h3,6-8,15H,2,4-5H2,1H3.
What are the key properties of 3-cyclobutyl-1-methylindazol-4-ol?
3-cyclobutyl-1-methylindazol-4-ol has a molecular weight of 202.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-methylindazol-4-ol is sourced from PubChem (CID 136765375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).