1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol

C14H14BrClF2N2O — CID 115813288

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol
SMILESCCn1nc(C)c(Cl)c1CC(O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H14BrClF2N2O/c1-3-20-11(14(16)7(2)19-20)6-12(21)13-9(17)4-8(15)5-10(13)18/h4-5,12,21H,3,6H2,1-2H3
InChIKeyMZXKQTOKNVCIPR-UHFFFAOYSA-N
MW379.63 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol

1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol (PubChem CID 115813288) has the molecular formula C14H14BrClF2N2O and a molecular weight of 379.63 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol
PubChem CID115813288
Molecular FormulaC14H14BrClF2N2O
Molecular Weight379.63 g/mol
Exact Mass377.99
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol
SMILESCCn1nc(C)c(Cl)c1CC(O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H14BrClF2N2O/c1-3-20-11(14(16)7(2)19-20)6-12(21)13-9(17)4-8(15)5-10(13)18/h4-5,12,21H,3,6H2,1-2H3
InChIKeyMZXKQTOKNVCIPR-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-5-bromophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 82703409
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 114980619
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
CID 115813255
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969729
1-(2-bromo-6-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanamine
CID 114886690
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105107414
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134956
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408089
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115812795
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115812822
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol
CID 113373073
1-(2-bromo-3-fluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methylethanamine
CID 104998655

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol (CID 115813288) is 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol is CCn1nc(C)c(Cl)c1CC(O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol?
The InChIKey is MZXKQTOKNVCIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClF2N2O/c1-3-20-11(14(16)7(2)19-20)6-12(21)13-9(17)4-8(15)5-10(13)18/h4-5,12,21H,3,6H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol?
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol has a molecular weight of 379.63 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 115813288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).