2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol

C13H16N2O — CID 166638798

IUPAC2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol
SMILESCCn1cc(-c2cccc(CCO)c2)cn1
InChIInChI=1S/C13H16N2O/c1-2-15-10-13(9-14-15)12-5-3-4-11(8-12)6-7-16/h3-5,8-10,16H,2,6-7H2,1H3
InChIKeyUDCWYKWSAUCHKS-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.10
Rot. Bonds4

About 2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol

2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol (PubChem CID 166638798) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol
PubChem CID166638798
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol
SMILESCCn1cc(-c2cccc(CCO)c2)cn1
InChIInChI=1S/C13H16N2O/c1-2-15-10-13(9-14-15)12-5-3-4-11(8-12)6-7-16/h3-5,8-10,16H,2,6-7H2,1H3
InChIKeyUDCWYKWSAUCHKS-UHFFFAOYSA-N
XLogP2.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(1-ethylpyrazol-4-yl)phenyl]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-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol?
The IUPAC name of 2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol (CID 166638798) is 2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol?
The canonical SMILES for 2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol is CCn1cc(-c2cccc(CCO)c2)cn1.
What is the InChIKey of 2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol?
The InChIKey is UDCWYKWSAUCHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-15-10-13(9-14-15)12-5-3-4-11(8-12)6-7-16/h3-5,8-10,16H,2,6-7H2,1H3.
What are the key properties of 2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol?
2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol has a molecular weight of 216.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethylpyrazol-4-yl)phenyl]ethanol is sourced from PubChem (CID 166638798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).