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

C15H19BrN2O — CID 105077466

IUPAC2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(C(O)Cc2ccc(Br)cc2)n(CC)n1
InChIInChI=1S/C15H19BrN2O/c1-3-13-10-14(18(4-2)17-13)15(19)9-11-5-7-12(16)8-6-11/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyYRFNLKWWWATSMJ-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.50
Rot. Bonds5

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

2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol (PubChem CID 105077466) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
PubChem CID105077466
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1cc(C(O)Cc2ccc(Br)cc2)n(CC)n1
InChIInChI=1S/C15H19BrN2O/c1-3-13-10-14(18(4-2)17-13)15(19)9-11-5-7-12(16)8-6-11/h5-8,10,15,19H,3-4,9H2,1-2H3
InChIKeyYRFNLKWWWATSMJ-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 105115124
2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105090951
1-(1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)ethanol
CID 105079038
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
2-(2,6-dichlorophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105084690
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103405
2-(3-chloro-4-pyridinyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105105538
2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134532
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101039
1-(1,3-diethylpyrazol-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 105117842
1-(2,4-dibromophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 107947608
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol (CID 105077466) is 2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol is CCc1cc(C(O)Cc2ccc(Br)cc2)n(CC)n1.
What is the InChIKey of 2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
The InChIKey is YRFNLKWWWATSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-3-13-10-14(18(4-2)17-13)15(19)9-11-5-7-12(16)8-6-11/h5-8,10,15,19H,3-4,9H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol?
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol has a molecular weight of 323.23 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 105077466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).