5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol

C16H23BrN2O2 — CID 155752048

IUPAC5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol
SMILESCO.COc1c(Br)cc2cn(C3CCCCC3)nc2c1C
InChIInChI=1S/C15H19BrN2O.CH4O/c1-10-14-11(8-13(16)15(10)19-2)9-18(17-14)12-6-4-3-5-7-12;1-2/h8-9,12H,3-7H2,1-2H3;2H,1H3
InChIKeyWPNGELLBWLKKBA-UHFFFAOYSA-N
MW355.28 g/mol
LogP4.23
Rot. Bonds2

About 5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol

5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol (PubChem CID 155752048) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol.

Molecular Properties

Compound Name5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol
PubChem CID155752048
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol
SMILESCO.COc1c(Br)cc2cn(C3CCCCC3)nc2c1C
InChIInChI=1S/C15H19BrN2O.CH4O/c1-10-14-11(8-13(16)15(10)19-2)9-18(17-14)12-6-4-3-5-7-12;1-2/h8-9,12H,3-7H2,1-2H3;2H,1H3
InChIKeyWPNGELLBWLKKBA-UHFFFAOYSA-N
XLogP4.23
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol?
The IUPAC name of 5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol (CID 155752048) is 5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol.
What is the SMILES notation for 5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol?
The canonical SMILES for 5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol is CO.COc1c(Br)cc2cn(C3CCCCC3)nc2c1C.
What is the InChIKey of 5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol?
The InChIKey is WPNGELLBWLKKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O.CH4O/c1-10-14-11(8-13(16)15(10)19-2)9-18(17-14)12-6-4-3-5-7-12;1-2/h8-9,12H,3-7H2,1-2H3;2H,1H3.
What are the key properties of 5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol?
5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol has a molecular weight of 355.28 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclohexyl-6-methoxy-7-methylindazole;methanol is sourced from PubChem (CID 155752048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).