4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile

C16H12N4O — CID 155790621

IUPAC4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1
InChIInChI=1S/C16H12N4O/c17-9-12-1-3-13(4-2-12)11-21-14-5-6-15(18-10-14)16-7-8-19-20-16/h1-8,10H,11H2,(H,19,20)
InChIKeyVSFYHXIMMJUORB-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.92
Rot. Bonds4

About 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile

4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile (PubChem CID 155790621) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
PubChem CID155790621
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1
InChIInChI=1S/C16H12N4O/c17-9-12-1-3-13(4-2-12)11-21-14-5-6-15(18-10-14)16-7-8-19-20-16/h1-8,10H,11H2,(H,19,20)
InChIKeyVSFYHXIMMJUORB-UHFFFAOYSA-N
XLogP2.92
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
9-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]-2,3,4,5-Tetrahydropyrido[2,3-F][1,4]oxazepine
CID 57382553
Cyp4A11/cyp4F2-IN-2
CID 130360508
20-Amino-14-fluoro-10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2(6),3,11(16),12,14,19,21-octaene-3-carbonitrile
CID 71732094
19-Amino-13-fluoro-9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile
CID 71732095
3-[(2S)-2-amino-3-phenylpropoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647436
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-ethenyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647440
6-Amino-3-(4-ethoxyphenyl)-4-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 664707
4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyridine
CID 10295106
2-(4-(2-cyclohexylethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11495553
dimethyl-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-2-pyridinyl}phenyl)oxy]ethyl}amine
CID 11682470

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile?
The IUPAC name of 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile (CID 155790621) is 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile.
What is the SMILES notation for 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile?
The canonical SMILES for 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile is N#Cc1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1.
What is the InChIKey of 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile?
The InChIKey is VSFYHXIMMJUORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-9-12-1-3-13(4-2-12)11-21-14-5-6-15(18-10-14)16-7-8-19-20-16/h1-8,10H,11H2,(H,19,20).
What are the key properties of 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile?
4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile has a molecular weight of 276.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile is sourced from PubChem (CID 155790621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).