4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile

C22H16N4O2 — CID 121305698

IUPAC4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2cccnc2)cc1
InChIInChI=1S/C22H16N4O2/c23-12-16-7-9-18(10-8-16)28-21-14-25-26-22(21)19-5-1-2-6-20(19)27-15-17-4-3-11-24-13-17/h1-11,13-14H,15H2,(H,25,26)
InChIKeyHBMWESBVIUJGAX-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.71
Rot. Bonds6

About 4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile

4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile (PubChem CID 121305698) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile.

Molecular Properties

Compound Name4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile
PubChem CID121305698
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2cccnc2)cc1
InChIInChI=1S/C22H16N4O2/c23-12-16-7-9-18(10-8-16)28-21-14-25-26-22(21)19-5-1-2-6-20(19)27-15-17-4-3-11-24-13-17/h1-11,13-14H,15H2,(H,25,26)
InChIKeyHBMWESBVIUJGAX-UHFFFAOYSA-N
XLogP4.71
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
4-[[5-(3-hydroxyphenyl)-1H-pyrazol-4-yl]oxy]benzonitrile
CID 121305743
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole
CID 99839545
5-ethoxy-2-(4-phenoxy-1H-pyrazol-5-yl)phenol
CID 764663
2-[4-(pyridin-3-ylmethoxy)phenoxy]pyrazine
CID 167789022
4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine
CID 89083027
2-[4-(2-bromophenoxy)-1H-pyrazol-5-yl]-5-phenylmethoxyphenol
CID 2009660
2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid
CID 919830
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile?
The IUPAC name of 4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile (CID 121305698) is 4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile.
What is the SMILES notation for 4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile?
The canonical SMILES for 4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile is N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2cccnc2)cc1.
What is the InChIKey of 4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile?
The InChIKey is HBMWESBVIUJGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c23-12-16-7-9-18(10-8-16)28-21-14-25-26-22(21)19-5-1-2-6-20(19)27-15-17-4-3-11-24-13-17/h1-11,13-14H,15H2,(H,25,26).
What are the key properties of 4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile?
4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile has a molecular weight of 368.40 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazol-4-yl]oxy]benzonitrile is sourced from PubChem (CID 121305698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).