4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol

C16H23BrN2O3 — CID 171613304

IUPAC4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
SMILESCCOc1c(C)cc2c(cnn2C2CCCCO2)c1Br.CO
InChIInChI=1S/C15H19BrN2O2.CH4O/c1-3-19-15-10(2)8-12-11(14(15)16)9-17-18(12)13-6-4-5-7-20-13;1-2/h8-9,13H,3-7H2,1-2H3;2H,1H3
InChIKeyUVVRZVOMTVZDBU-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.81
Rot. Bonds3

About 4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol

4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol (PubChem CID 171613304) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol.

Molecular Properties

Compound Name4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
PubChem CID171613304
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Name4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
SMILESCCOc1c(C)cc2c(cnn2C2CCCCO2)c1Br.CO
InChIInChI=1S/C15H19BrN2O2.CH4O/c1-3-19-15-10(2)8-12-11(14(15)16)9-17-18(12)13-6-4-5-7-20-13;1-2/h8-9,13H,3-7H2,1-2H3;2H,1H3
InChIKeyUVVRZVOMTVZDBU-UHFFFAOYSA-N
XLogP3.81
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol
CID 171613608
2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]acetaldehyde;1,4-dioxane
CID 171613555
2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane
CID 171613353
4-bromo-5-methyl-1-(oxan-2-yl)-6-(trifluoromethyl)indazole
CID 178018729
2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol
CID 177150139
2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide
CID 171613144
[4-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]-3-methylbutyl] methanesulfonate
CID 171613594
2-[4-bromo-6-fluoro-1-(oxan-2-yl)indazol-5-yl]butan-1-ol;ethanol
CID 171613697
ethyl 2-[3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]prop-2-ynoxy]acetate
CID 171613096
5-bromo-4-(2-chloroethoxy)-1-(oxan-2-yl)indazole
CID 23134542
3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine
CID 171613484

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol?
The IUPAC name of 4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol (CID 171613304) is 4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol.
What is the SMILES notation for 4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol?
The canonical SMILES for 4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol is CCOc1c(C)cc2c(cnn2C2CCCCO2)c1Br.CO.
What is the InChIKey of 4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol?
The InChIKey is UVVRZVOMTVZDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2.CH4O/c1-3-19-15-10(2)8-12-11(14(15)16)9-17-18(12)13-6-4-5-7-20-13;1-2/h8-9,13H,3-7H2,1-2H3;2H,1H3.
What are the key properties of 4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol?
4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol has a molecular weight of 371.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol is sourced from PubChem (CID 171613304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).