[5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol

C16H21BrN2O2 — CID 115962171

IUPAC[5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol
SMILESCCc1cc(COc2c(C)cc(Br)cc2CO)n(CC)n1
InChIInChI=1S/C16H21BrN2O2/c1-4-14-8-15(19(5-2)18-14)10-21-16-11(3)6-13(17)7-12(16)9-20/h6-8,20H,4-5,9-10H2,1-3H3
InChIKeyMHLZEPOFPYQPOZ-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.61
Rot. Bonds6

About [5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol

[5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol (PubChem CID 115962171) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is [5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol
PubChem CID115962171
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name[5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol
SMILESCCc1cc(COc2c(C)cc(Br)cc2CO)n(CC)n1
InChIInChI=1S/C16H21BrN2O2/c1-4-14-8-15(19(5-2)18-14)10-21-16-11(3)6-13(17)7-12(16)9-20/h6-8,20H,4-5,9-10H2,1-3H3
InChIKeyMHLZEPOFPYQPOZ-UHFFFAOYSA-N
XLogP3.61
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-[(3-ethylimidazol-4-yl)methoxy]-3-methylphenyl]methanol
CID 112621150
2-[5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylphenyl]ethanamine
CID 115962732
[5-bromo-2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methylphenyl]methanol
CID 115962229
[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698448
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
5-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-methylbenzaldehyde
CID 115961904
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
[5-bromo-2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methanol
CID 112620962
[5-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]methanamine
CID 115960875
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
3-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenol
CID 107679807
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol?
The IUPAC name of [5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol (CID 115962171) is [5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol?
The canonical SMILES for [5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol is CCc1cc(COc2c(C)cc(Br)cc2CO)n(CC)n1.
What is the InChIKey of [5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol?
The InChIKey is MHLZEPOFPYQPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-4-14-8-15(19(5-2)18-14)10-21-16-11(3)6-13(17)7-12(16)9-20/h6-8,20H,4-5,9-10H2,1-3H3.
What are the key properties of [5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol?
[5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol has a molecular weight of 353.26 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(1,3-diethylpyrazol-5-yl)methoxy]-3-methylphenyl]methanol is sourced from PubChem (CID 115962171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).