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

C15H18Br2N2O — CID 107947608

IUPAC1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2ccc(Br)cc2Br)n(CC)n1
InChIInChI=1S/C15H18Br2N2O/c1-3-11-8-12(19(4-2)18-11)9-15(20)13-6-5-10(16)7-14(13)17/h5-8,15,20H,3-4,9H2,1-2H3
InChIKeyMKOKLFIFMIBVQK-UHFFFAOYSA-N
MW402.13 g/mol
LogP4.27
Rot. Bonds5

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

1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol (PubChem CID 107947608) has the molecular formula C15H18Br2N2O and a molecular weight of 402.13 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
PubChem CID107947608
Molecular FormulaC15H18Br2N2O
Molecular Weight402.13 g/mol
Exact Mass399.98
IUPAC Name1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2ccc(Br)cc2Br)n(CC)n1
InChIInChI=1S/C15H18Br2N2O/c1-3-11-8-12(19(4-2)18-11)9-15(20)13-6-5-10(16)7-14(13)17/h5-8,15,20H,3-4,9H2,1-2H3
InChIKeyMKOKLFIFMIBVQK-UHFFFAOYSA-N
XLogP4.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.13
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816454
1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 107947554
1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001613
1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946163
[1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 107948325
2-(2-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propan-1-ol
CID 79454682
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466
4-[2-(1,3-diethylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile
CID 115480834
1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 106695853
5-[3-bromo-2-(2-bromophenyl)propyl]-1,3-diethylpyrazole
CID 79455109
2-(3-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propanoic acid
CID 79431382
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol (CID 107947608) is 1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol is CCc1cc(CC(O)c2ccc(Br)cc2Br)n(CC)n1.
What is the InChIKey of 1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol?
The InChIKey is MKOKLFIFMIBVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2O/c1-3-11-8-12(19(4-2)18-11)9-15(20)13-6-5-10(16)7-14(13)17/h5-8,15,20H,3-4,9H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol?
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol has a molecular weight of 402.13 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 107947608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).