3-cyclopentyl-1-methylindazol-6-ol

C13H16N2O — CID 136866728

IUPAC3-cyclopentyl-1-methylindazol-6-ol
SMILESCn1nc(C2CCCC2)c2ccc(O)cc21
InChIInChI=1S/C13H16N2O/c1-15-12-8-10(16)6-7-11(12)13(14-15)9-4-2-3-5-9/h6-9,16H,2-5H2,1H3
InChIKeySCZCSWRIZIIMRC-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.94
Rot. Bonds1

About 3-cyclopentyl-1-methylindazol-6-ol

3-cyclopentyl-1-methylindazol-6-ol (PubChem CID 136866728) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-cyclopentyl-1-methylindazol-6-ol.

Molecular Properties

Compound Name3-cyclopentyl-1-methylindazol-6-ol
PubChem CID136866728
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-cyclopentyl-1-methylindazol-6-ol
SMILESCn1nc(C2CCCC2)c2ccc(O)cc21
InChIInChI=1S/C13H16N2O/c1-15-12-8-10(16)6-7-11(12)13(14-15)9-4-2-3-5-9/h6-9,16H,2-5H2,1H3
InChIKeySCZCSWRIZIIMRC-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methylindazol-6-ol?
The IUPAC name of 3-cyclopentyl-1-methylindazol-6-ol (CID 136866728) is 3-cyclopentyl-1-methylindazol-6-ol.
What is the SMILES notation for 3-cyclopentyl-1-methylindazol-6-ol?
The canonical SMILES for 3-cyclopentyl-1-methylindazol-6-ol is Cn1nc(C2CCCC2)c2ccc(O)cc21.
What is the InChIKey of 3-cyclopentyl-1-methylindazol-6-ol?
The InChIKey is SCZCSWRIZIIMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-12-8-10(16)6-7-11(12)13(14-15)9-4-2-3-5-9/h6-9,16H,2-5H2,1H3.
What are the key properties of 3-cyclopentyl-1-methylindazol-6-ol?
3-cyclopentyl-1-methylindazol-6-ol has a molecular weight of 216.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methylindazol-6-ol is sourced from PubChem (CID 136866728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).