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

C15H17BrClFN2O — CID 115815316

IUPAC1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2ccc(F)cc2Br)c1Cl
InChIInChI=1S/C15H17BrClFN2O/c1-3-12-15(17)13(20(4-2)19-12)8-14(21)10-6-5-9(18)7-11(10)16/h5-7,14,21H,3-4,8H2,1-2H3
InChIKeyKKBOSCJFOYYAFH-UHFFFAOYSA-N
MW375.67 g/mol
LogP4.30
Rot. Bonds5

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

1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol (PubChem CID 115815316) has the molecular formula C15H17BrClFN2O and a molecular weight of 375.67 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
PubChem CID115815316
Molecular FormulaC15H17BrClFN2O
Molecular Weight375.67 g/mol
Exact Mass374.02
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
SMILESCCc1nn(CC)c(CC(O)c2ccc(F)cc2Br)c1Cl
InChIInChI=1S/C15H17BrClFN2O/c1-3-12-15(17)13(20(4-2)19-12)8-14(21)10-6-5-9(18)7-11(10)16/h5-7,14,21H,3-4,8H2,1-2H3
InChIKeyKKBOSCJFOYYAFH-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.67
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001455
1-(4-bromo-3-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 81432213
1-(4-bromo-3-chlorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol
CID 115815329
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
CID 115778632
1-(2-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816454
1-(2-amino-5-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 82684546
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091797
2-(2-bromophenyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-1-ol
CID 79437383
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216924
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethanol
CID 115816293
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79432932
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-chlorofuran-3-yl)ethanol
CID 106693847

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol (CID 115815316) is 1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol is CCc1nn(CC)c(CC(O)c2ccc(F)cc2Br)c1Cl.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol?
The InChIKey is KKBOSCJFOYYAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClFN2O/c1-3-12-15(17)13(20(4-2)19-12)8-14(21)10-6-5-9(18)7-11(10)16/h5-7,14,21H,3-4,8H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol?
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol has a molecular weight of 375.67 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 115815316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).