1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol

C16H14ClN3O — CID 109411946

IUPAC1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
SMILESOC(Cn1nccc1-c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c17-14-3-1-13(2-4-14)16(21)11-20-15(7-10-19-20)12-5-8-18-9-6-12/h1-10,16,21H,11H2
InChIKeyDERXJVRMHYJTRD-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol

1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol (PubChem CID 109411946) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
PubChem CID109411946
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
SMILESOC(Cn1nccc1-c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c17-14-3-1-13(2-4-14)16(21)11-20-15(7-10-19-20)12-5-8-18-9-6-12/h1-10,16,21H,11H2
InChIKeyDERXJVRMHYJTRD-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol (CID 109411946) is 1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol is OC(Cn1nccc1-c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol?
The InChIKey is DERXJVRMHYJTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-14-3-1-13(2-4-14)16(21)11-20-15(7-10-19-20)12-5-8-18-9-6-12/h1-10,16,21H,11H2.
What are the key properties of 1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol?
1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol has a molecular weight of 299.76 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 109411946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).