1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole

C18H19BrN2O — CID 137397184

IUPAC1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole
SMILESCC(C)COc1ccc(Br)cc1Cn1ncc2ccccc21
InChIInChI=1S/C18H19BrN2O/c1-13(2)12-22-18-8-7-16(19)9-15(18)11-21-17-6-4-3-5-14(17)10-20-21/h3-10,13H,11-12H2,1-2H3
InChIKeyYWUDUCPZFKGYBI-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.88
Rot. Bonds5

About 1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole

1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole (PubChem CID 137397184) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole.

Molecular Properties

Compound Name1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole
PubChem CID137397184
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole
SMILESCC(C)COc1ccc(Br)cc1Cn1ncc2ccccc21
InChIInChI=1S/C18H19BrN2O/c1-13(2)12-22-18-8-7-16(19)9-15(18)11-21-17-6-4-3-5-14(17)10-20-21/h3-10,13H,11-12H2,1-2H3
InChIKeyYWUDUCPZFKGYBI-UHFFFAOYSA-N
XLogP4.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[5-bromo-2-[(1-methylcyclopropyl)methoxy]phenyl]methyl]indazol-5-yl]methanediol
CID 137397199
methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690440
1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazole-3-carbonyl chloride
CID 87620376
methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690439
1-[(3-bromo-4-methoxyphenyl)methyl]indazole
CID 62140207
1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone
CID 147647708
1-[1-[[5-(2-fluoro-2-phosphanylethoxy)-2-(2-methylpropoxy)phenyl]methyl]indazol-5-yl]-2-hydroxyethanone
CID 137397611
[5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium
CID 7366809
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
[4-bromo-2-(2-methylpropoxy)phenyl]methanamine
CID 115581634
methyl 2-[1-[(5-bromo-2-methoxyphenyl)methyl]indazol-4-yl]acetate
CID 137397331
[5-bromo-2-(2-methylpropoxy)phenyl]methyl methanesulfonate
CID 86690432

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole?
The IUPAC name of 1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole (CID 137397184) is 1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole.
What is the SMILES notation for 1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole?
The canonical SMILES for 1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole is CC(C)COc1ccc(Br)cc1Cn1ncc2ccccc21.
What is the InChIKey of 1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole?
The InChIKey is YWUDUCPZFKGYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-13(2)12-22-18-8-7-16(19)9-15(18)11-21-17-6-4-3-5-14(17)10-20-21/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole?
1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole has a molecular weight of 359.27 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole is sourced from PubChem (CID 137397184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).