1-(3-methoxycyclobutyl)-7-propan-2-ylindazole

C15H20N2O — CID 168840414

IUPAC1-(3-methoxycyclobutyl)-7-propan-2-ylindazole
SMILESCOC1CC(n2ncc3cccc(C(C)C)c32)C1
InChIInChI=1S/C15H20N2O/c1-10(2)14-6-4-5-11-9-16-17(15(11)14)12-7-13(8-12)18-3/h4-6,9-10,12-13H,7-8H2,1-3H3
InChIKeyVAAKEOJRKCFBJO-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.51
Rot. Bonds3

About 1-(3-methoxycyclobutyl)-7-propan-2-ylindazole

1-(3-methoxycyclobutyl)-7-propan-2-ylindazole (PubChem CID 168840414) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(3-methoxycyclobutyl)-7-propan-2-ylindazole.

Molecular Properties

Compound Name1-(3-methoxycyclobutyl)-7-propan-2-ylindazole
PubChem CID168840414
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(3-methoxycyclobutyl)-7-propan-2-ylindazole
SMILESCOC1CC(n2ncc3cccc(C(C)C)c32)C1
InChIInChI=1S/C15H20N2O/c1-10(2)14-6-4-5-11-9-16-17(15(11)14)12-7-13(8-12)18-3/h4-6,9-10,12-13H,7-8H2,1-3H3
InChIKeyVAAKEOJRKCFBJO-UHFFFAOYSA-N
XLogP3.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclobutyl)-7-propan-2-ylindazole?
The IUPAC name of 1-(3-methoxycyclobutyl)-7-propan-2-ylindazole (CID 168840414) is 1-(3-methoxycyclobutyl)-7-propan-2-ylindazole.
What is the SMILES notation for 1-(3-methoxycyclobutyl)-7-propan-2-ylindazole?
The canonical SMILES for 1-(3-methoxycyclobutyl)-7-propan-2-ylindazole is COC1CC(n2ncc3cccc(C(C)C)c32)C1.
What is the InChIKey of 1-(3-methoxycyclobutyl)-7-propan-2-ylindazole?
The InChIKey is VAAKEOJRKCFBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)14-6-4-5-11-9-16-17(15(11)14)12-7-13(8-12)18-3/h4-6,9-10,12-13H,7-8H2,1-3H3.
What are the key properties of 1-(3-methoxycyclobutyl)-7-propan-2-ylindazole?
1-(3-methoxycyclobutyl)-7-propan-2-ylindazole has a molecular weight of 244.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclobutyl)-7-propan-2-ylindazole is sourced from PubChem (CID 168840414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).