7-cyclobutyl-1-methylindazole

C12H14N2 — CID 178166244

IUPAC7-cyclobutyl-1-methylindazole
SMILESCn1ncc2cccc(C3CCC3)c21
InChIInChI=1S/C12H14N2/c1-14-12-10(8-13-14)6-3-7-11(12)9-4-2-5-9/h3,6-9H,2,4-5H2,1H3
InChIKeyJWSTXUGKJQITHX-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.84
Rot. Bonds1

About 7-cyclobutyl-1-methylindazole

7-cyclobutyl-1-methylindazole (PubChem CID 178166244) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 7-cyclobutyl-1-methylindazole.

Molecular Properties

Compound Name7-cyclobutyl-1-methylindazole
PubChem CID178166244
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name7-cyclobutyl-1-methylindazole
SMILESCn1ncc2cccc(C3CCC3)c21
InChIInChI=1S/C12H14N2/c1-14-12-10(8-13-14)6-3-7-11(12)9-4-2-5-9/h3,6-9H,2,4-5H2,1H3
InChIKeyJWSTXUGKJQITHX-UHFFFAOYSA-N
XLogP2.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-1-methylindazole?
The IUPAC name of 7-cyclobutyl-1-methylindazole (CID 178166244) is 7-cyclobutyl-1-methylindazole.
What is the SMILES notation for 7-cyclobutyl-1-methylindazole?
The canonical SMILES for 7-cyclobutyl-1-methylindazole is Cn1ncc2cccc(C3CCC3)c21.
What is the InChIKey of 7-cyclobutyl-1-methylindazole?
The InChIKey is JWSTXUGKJQITHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-14-12-10(8-13-14)6-3-7-11(12)9-4-2-5-9/h3,6-9H,2,4-5H2,1H3.
What are the key properties of 7-cyclobutyl-1-methylindazole?
7-cyclobutyl-1-methylindazole has a molecular weight of 186.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-1-methylindazole is sourced from PubChem (CID 178166244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).