[1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol

C16H21BrN2O — CID 174366618

IUPAC[1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(-c2cc(C)c(Br)c(C)c2)c(CC)c1CO
InChIInChI=1S/C16H21BrN2O/c1-5-14-13(9-20)15(6-2)19(18-14)12-7-10(3)16(17)11(4)8-12/h7-8,20H,5-6,9H2,1-4H3
InChIKeyZOZXQHWZNODISV-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.87
Rot. Bonds4

About [1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol

[1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol (PubChem CID 174366618) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is [1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol
PubChem CID174366618
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name[1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol
SMILESCCc1nn(-c2cc(C)c(Br)c(C)c2)c(CC)c1CO
InChIInChI=1S/C16H21BrN2O/c1-5-14-13(9-20)15(6-2)19(18-14)12-7-10(3)16(17)11(4)8-12/h7-8,20H,5-6,9H2,1-4H3
InChIKeyZOZXQHWZNODISV-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol?
The IUPAC name of [1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol (CID 174366618) is [1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol is CCc1nn(-c2cc(C)c(Br)c(C)c2)c(CC)c1CO.
What is the InChIKey of [1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol?
The InChIKey is ZOZXQHWZNODISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-5-14-13(9-20)15(6-2)19(18-14)12-7-10(3)16(17)11(4)8-12/h7-8,20H,5-6,9H2,1-4H3.
What are the key properties of [1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol?
[1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol has a molecular weight of 337.26 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methanol is sourced from PubChem (CID 174366618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).