2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol

C12H12ClFN2O — CID 103047549

IUPAC2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)Cc2cc(Cl)ccc2F)cn1
InChIInChI=1S/C12H12ClFN2O/c1-16-7-9(6-15-16)12(17)5-8-4-10(13)2-3-11(8)14/h2-4,6-7,12,17H,5H2,1H3
InChIKeyCNPLJRCIBJHJQU-UHFFFAOYSA-N
MW254.69 g/mol
LogP2.49
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol

2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 103047549) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID103047549
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)Cc2cc(Cl)ccc2F)cn1
InChIInChI=1S/C12H12ClFN2O/c1-16-7-9(6-15-16)12(17)5-8-4-10(13)2-3-11(8)14/h2-4,6-7,12,17H,5H2,1H3
InChIKeyCNPLJRCIBJHJQU-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol (CID 103047549) is 2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc(C(O)Cc2cc(Cl)ccc2F)cn1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is CNPLJRCIBJHJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c1-16-7-9(6-15-16)12(17)5-8-4-10(13)2-3-11(8)14/h2-4,6-7,12,17H,5H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol?
2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 254.69 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 103047549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).