3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol

C15H11ClN2O2 — CID 117229418

IUPAC3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol
SMILESOc1cccc(Oc2cnn(-c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C15H11ClN2O2/c16-11-4-6-12(7-5-11)18-10-15(9-17-18)20-14-3-1-2-13(19)8-14/h1-10,19H
InChIKeyPNHZCJOWXYIAAG-UHFFFAOYSA-N
MW286.72 g/mol
LogP4.02
Rot. Bonds3

About 3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol

3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol (PubChem CID 117229418) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol
PubChem CID117229418
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol
SMILESOc1cccc(Oc2cnn(-c3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C15H11ClN2O2/c16-11-4-6-12(7-5-11)18-10-15(9-17-18)20-14-3-1-2-13(19)8-14/h1-10,19H
InChIKeyPNHZCJOWXYIAAG-UHFFFAOYSA-N
XLogP4.02
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol?
The IUPAC name of 3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol (CID 117229418) is 3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol.
What is the SMILES notation for 3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol?
The canonical SMILES for 3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol is Oc1cccc(Oc2cnn(-c3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol?
The InChIKey is PNHZCJOWXYIAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-11-4-6-12(7-5-11)18-10-15(9-17-18)20-14-3-1-2-13(19)8-14/h1-10,19H.
What are the key properties of 3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol?
3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol has a molecular weight of 286.72 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)pyrazol-4-yl]oxyphenol is sourced from PubChem (CID 117229418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).