1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol

C14H16BrFN2O — CID 115813565

IUPAC1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2cc(F)ccc2Br)n(C)n1
InChIInChI=1S/C14H16BrFN2O/c1-3-10-7-11(18(2)17-10)8-14(19)12-6-9(16)4-5-13(12)15/h4-7,14,19H,3,8H2,1-2H3
InChIKeyNYMOCEJYCAASDK-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.16
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol

1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol (PubChem CID 115813565) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
PubChem CID115813565
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2cc(F)ccc2Br)n(C)n1
InChIInChI=1S/C14H16BrFN2O/c1-3-10-7-11(18(2)17-10)8-14(19)12-6-9(16)4-5-13(12)15/h4-7,14,19H,3,8H2,1-2H3
InChIKeyNYMOCEJYCAASDK-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol (CID 115813565) is 1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol is CCc1cc(CC(O)c2cc(F)ccc2Br)n(C)n1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The InChIKey is NYMOCEJYCAASDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-3-10-7-11(18(2)17-10)8-14(19)12-6-9(16)4-5-13(12)15/h4-7,14,19H,3,8H2,1-2H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol has a molecular weight of 327.20 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 115813565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).