4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile

C16H11N3O2 — CID 121305743

IUPAC4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2cn[nH]c2-c2cccc(O)c2)cc1
InChIInChI=1S/C16H11N3O2/c17-9-11-4-6-14(7-5-11)21-15-10-18-19-16(15)12-2-1-3-13(20)8-12/h1-8,10,20H,(H,18,19)
InChIKeyCRUHORMPALHGEL-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.45
Rot. Bonds3

About 4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile

4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile (PubChem CID 121305743) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile.

Molecular Properties

Compound Name4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile
PubChem CID121305743
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2cn[nH]c2-c2cccc(O)c2)cc1
InChIInChI=1S/C16H11N3O2/c17-9-11-4-6-14(7-5-11)21-15-10-18-19-16(15)12-2-1-3-13(20)8-12/h1-8,10,20H,(H,18,19)
InChIKeyCRUHORMPALHGEL-UHFFFAOYSA-N
XLogP3.45
TPSA81.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile?
The IUPAC name of 4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile (CID 121305743) is 4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile.
What is the SMILES notation for 4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile?
The canonical SMILES for 4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile is N#Cc1ccc(Oc2cn[nH]c2-c2cccc(O)c2)cc1.
What is the InChIKey of 4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile?
The InChIKey is CRUHORMPALHGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-9-11-4-6-14(7-5-11)21-15-10-18-19-16(15)12-2-1-3-13(20)8-12/h1-8,10,20H,(H,18,19).
What are the key properties of 4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile?
4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile has a molecular weight of 277.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile is sourced from PubChem (CID 121305743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).