1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol

C22H18FN3O — CID 14988718

IUPAC1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
SMILESOC(Cn1cccn1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C22H18FN3O/c23-21-8-6-20(7-9-21)22(27,16-26-15-1-12-25-26)19-4-2-17(3-5-19)18-10-13-24-14-11-18/h1-15,27H,16H2
InChIKeyIUHJNFXNKFLZJU-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.02
Rot. Bonds5

About 1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol

1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol (PubChem CID 14988718) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
PubChem CID14988718
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
SMILESOC(Cn1cccn1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C22H18FN3O/c23-21-8-6-20(7-9-21)22(27,16-26-15-1-12-25-26)19-4-2-17(3-5-19)18-10-13-24-14-11-18/h1-15,27H,16H2
InChIKeyIUHJNFXNKFLZJU-UHFFFAOYSA-N
XLogP4.02
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol (CID 14988718) is 1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol is OC(Cn1cccn1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
The InChIKey is IUHJNFXNKFLZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-21-8-6-20(7-9-21)22(27,16-26-15-1-12-25-26)19-4-2-17(3-5-19)18-10-13-24-14-11-18/h1-15,27H,16H2.
What are the key properties of 1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol has a molecular weight of 359.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-pyrazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol is sourced from PubChem (CID 14988718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).