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

C12H13FN2O — CID 61088208

IUPAC2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C12H13FN2O/c1-15-8-10(7-14-15)12(16)6-9-2-4-11(13)5-3-9/h2-5,7-8,12,16H,6H2,1H3
InChIKeyIWIUJVDUUDYGSK-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.84
Rot. Bonds3

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

2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 61088208) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID61088208
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C12H13FN2O/c1-15-8-10(7-14-15)12(16)6-9-2-4-11(13)5-3-9/h2-5,7-8,12,16H,6H2,1H3
InChIKeyIWIUJVDUUDYGSK-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol (CID 61088208) is 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc(C(O)Cc2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is IWIUJVDUUDYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-15-8-10(7-14-15)12(16)6-9-2-4-11(13)5-3-9/h2-5,7-8,12,16H,6H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol?
2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 220.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 61088208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).