1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol

C14H15BrClFN2O — CID 114643528

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol
SMILESCC(C)n1ncc(Br)c1C(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H15BrClFN2O/c1-8(2)19-14(10(15)7-18-19)13(20)6-9-11(16)4-3-5-12(9)17/h3-5,7-8,13,20H,6H2,1-2H3
InChIKeyIXAASVUIBXVARS-UHFFFAOYSA-N
MW361.64 g/mol
LogP4.30
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol (PubChem CID 114643528) has the molecular formula C14H15BrClFN2O and a molecular weight of 361.64 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol
PubChem CID114643528
Molecular FormulaC14H15BrClFN2O
Molecular Weight361.64 g/mol
Exact Mass360.00
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol
SMILESCC(C)n1ncc(Br)c1C(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H15BrClFN2O/c1-8(2)19-14(10(15)7-18-19)13(20)6-9-11(16)4-3-5-12(9)17/h3-5,7-8,13,20H,6H2,1-2H3
InChIKeyIXAASVUIBXVARS-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.64
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
CID 114635561
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethanol
CID 114644213
2-(4-bromophenyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642929
(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114885779
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115835068
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115834899
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114887114
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
CID 114643499
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105081261
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
CID 115835323
2-(2-chloro-6-fluorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319210

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol (CID 114643528) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol is CC(C)n1ncc(Br)c1C(O)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol?
The InChIKey is IXAASVUIBXVARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClFN2O/c1-8(2)19-14(10(15)7-18-19)13(20)6-9-11(16)4-3-5-12(9)17/h3-5,7-8,13,20H,6H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol has a molecular weight of 361.64 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol is sourced from PubChem (CID 114643528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).