3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol

C17H23BrN2O — CID 79432079

IUPAC3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol
SMILESCCc1nn(CC)c(CC(CO)c2ccc(C)cc2)c1Br
InChIInChI=1S/C17H23BrN2O/c1-4-15-17(18)16(20(5-2)19-15)10-14(11-21)13-8-6-12(3)7-9-13/h6-9,14,21H,4-5,10-11H2,1-3H3
InChIKeyYLKMIALAPGMHSV-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.85
Rot. Bonds6

About 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol

3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 79432079) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol
PubChem CID79432079
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol
SMILESCCc1nn(CC)c(CC(CO)c2ccc(C)cc2)c1Br
InChIInChI=1S/C17H23BrN2O/c1-4-15-17(18)16(20(5-2)19-15)10-14(11-21)13-8-6-12(3)7-9-13/h6-9,14,21H,4-5,10-11H2,1-3H3
InChIKeyYLKMIALAPGMHSV-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine
CID 79430400
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol
CID 79438552
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-methylphenyl)propan-1-ol
CID 79436904
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 105002333
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine
CID 105002460
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503033
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 105002486
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200822
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804208
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol
CID 107947613
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-ethylhexane-2,3-diol
CID 103459826
4-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]-1-ethyl-3-methylpyrazole
CID 79435088

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol (CID 79432079) is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol is CCc1nn(CC)c(CC(CO)c2ccc(C)cc2)c1Br.
What is the InChIKey of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is YLKMIALAPGMHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-4-15-17(18)16(20(5-2)19-15)10-14(11-21)13-8-6-12(3)7-9-13/h6-9,14,21H,4-5,10-11H2,1-3H3.
What are the key properties of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol?
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 351.29 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 79432079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).