1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol

C13H13BrF2N2O — CID 115780560

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CC(O)c2c(F)cc(Br)cc2F)cn1
InChIInChI=1S/C13H13BrF2N2O/c1-2-18-7-8(6-17-18)3-12(19)13-10(15)4-9(14)5-11(13)16/h4-7,12,19H,2-3H2,1H3
InChIKeyVADGWBBHSDBHJD-UHFFFAOYSA-N
MW331.16 g/mol
LogP3.22
Rot. Bonds4

About 1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol

1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol (PubChem CID 115780560) has the molecular formula C13H13BrF2N2O and a molecular weight of 331.16 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol
PubChem CID115780560
Molecular FormulaC13H13BrF2N2O
Molecular Weight331.16 g/mol
Exact Mass330.02
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(CC(O)c2c(F)cc(Br)cc2F)cn1
InChIInChI=1S/C13H13BrF2N2O/c1-2-18-7-8(6-17-18)3-12(19)13-10(15)4-9(14)5-11(13)16/h4-7,12,19H,2-3H2,1H3
InChIKeyVADGWBBHSDBHJD-UHFFFAOYSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,6-difluorophenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115816422
1-(3-bromo-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 107953993
1-(2-bromo-3,4-difluorophenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 107539079
1-(4-bromophenyl)sulfanyl-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 66055086
1-(1-ethylpyrazol-4-yl)-3,3-dimethylpentan-2-ol
CID 115780671
4-ethyl-1-(1-ethylpyrazol-4-yl)hexane-2,3-diol
CID 103459765
1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63894409
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
1-(3,4-difluorophenyl)-3-(1-ethylpyrazol-4-yl)-N-methylpropan-2-amine
CID 115822649
1-(4-bromo-2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811446
(1R)-1-[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 63365906
(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102949340

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol (CID 115780560) is 1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol is CCn1cc(CC(O)c2c(F)cc(Br)cc2F)cn1.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol?
The InChIKey is VADGWBBHSDBHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF2N2O/c1-2-18-7-8(6-17-18)3-12(19)13-10(15)4-9(14)5-11(13)16/h4-7,12,19H,2-3H2,1H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol?
1-(4-bromo-2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanol has a molecular weight of 331.16 g/mol, XLogP of 3.22, 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-(1-ethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115780560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).