1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol

C15H17Br2ClN2O — CID 107947613

IUPAC1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2cc(Cl)cc(Br)c2)c1Br
InChIInChI=1S/C15H17Br2ClN2O/c1-3-12-15(17)13(20(4-2)19-12)8-14(21)9-5-10(16)7-11(18)6-9/h5-7,14,21H,3-4,8H2,1-2H3
InChIKeyQFJOXMBNWJJYJW-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.92
Rot. Bonds5

About 1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol

1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol (PubChem CID 107947613) has the molecular formula C15H17Br2ClN2O and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol
PubChem CID107947613
Molecular FormulaC15H17Br2ClN2O
Molecular Weight436.58 g/mol
Exact Mass433.94
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2cc(Cl)cc(Br)c2)c1Br
InChIInChI=1S/C15H17Br2ClN2O/c1-3-12-15(17)13(20(4-2)19-12)8-14(21)9-5-10(16)7-11(18)6-9/h5-7,14,21H,3-4,8H2,1-2H3
InChIKeyQFJOXMBNWJJYJW-UHFFFAOYSA-N
XLogP4.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2,5-dibromophenyl)ethanol
CID 115816293
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol
CID 106693847
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815329
[1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 107948303
1-(4-bromo-3-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 81432213
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978492
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine
CID 105002384
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946095
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79783500
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503033
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol
CID 79432079

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol (CID 107947613) is 1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol is CCc1nn(CC)c(CC(O)c2cc(Cl)cc(Br)c2)c1Br.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol?
The InChIKey is QFJOXMBNWJJYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2ClN2O/c1-3-12-15(17)13(20(4-2)19-12)8-14(21)9-5-10(16)7-11(18)6-9/h5-7,14,21H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol?
1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol has a molecular weight of 436.58 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 107947613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).