1-(1-phenylpyrazol-4-yl)ethanol

C11H12N2O — CID 61088966

IUPAC1-(1-phenylpyrazol-4-yl)ethanol
SMILESCC(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H12N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyWDRLPGXWBQXLPI-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.93
Rot. Bonds2

About 1-(1-phenylpyrazol-4-yl)ethanol

1-(1-phenylpyrazol-4-yl)ethanol (PubChem CID 61088966) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-phenylpyrazol-4-yl)ethanol
PubChem CID61088966
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-(1-phenylpyrazol-4-yl)ethanol
SMILESCC(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H12N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyWDRLPGXWBQXLPI-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(1-phenylpyrazol-4-yl)ethanol (CID 61088966) is 1-(1-phenylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-phenylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(1-phenylpyrazol-4-yl)ethanol is CC(O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(1-phenylpyrazol-4-yl)ethanol?
The InChIKey is WDRLPGXWBQXLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-9,14H,1H3.
What are the key properties of 1-(1-phenylpyrazol-4-yl)ethanol?
1-(1-phenylpyrazol-4-yl)ethanol has a molecular weight of 188.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-4-yl)ethanol is sourced from PubChem (CID 61088966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).