1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol

C13H16N2O — CID 62731819

IUPAC1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(CCc2ccccc2)c1
InChIInChI=1S/C13H16N2O/c1-11(16)13-9-14-15(10-13)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3
InChIKeyZGRZCLWVMSWAAF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.18
Rot. Bonds4

About 1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol

1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol (PubChem CID 62731819) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol
PubChem CID62731819
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(CCc2ccccc2)c1
InChIInChI=1S/C13H16N2O/c1-11(16)13-9-14-15(10-13)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3
InChIKeyZGRZCLWVMSWAAF-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol (CID 62731819) is 1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol is CC(O)c1cnn(CCc2ccccc2)c1.
What is the InChIKey of 1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol?
The InChIKey is ZGRZCLWVMSWAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11(16)13-9-14-15(10-13)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3.
What are the key properties of 1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol?
1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol has a molecular weight of 216.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 62731819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).