2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile

C17H14N4O2 — CID 86725514

IUPAC2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESCOc1cccc(COc2ccnn2-c2cc(C#N)ccn2)c1
InChIInChI=1S/C17H14N4O2/c1-22-15-4-2-3-14(9-15)12-23-17-6-8-20-21(17)16-10-13(11-18)5-7-19-16/h2-10H,12H2,1H3
InChIKeyBUHYLUAWCDKZDQ-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.73
Rot. Bonds5

About 2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile

2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile (PubChem CID 86725514) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
PubChem CID86725514
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESCOc1cccc(COc2ccnn2-c2cc(C#N)ccn2)c1
InChIInChI=1S/C17H14N4O2/c1-22-15-4-2-3-14(9-15)12-23-17-6-8-20-21(17)16-10-13(11-18)5-7-19-16/h2-10H,12H2,1H3
InChIKeyBUHYLUAWCDKZDQ-UHFFFAOYSA-N
XLogP2.73
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(3-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725536
2-[5-[(4-ethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725529
2-[5-[(2,4-dimethylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725627
2-[5-[(4-iodo-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725644
2-[5-[(2,4-difluorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725551
2-[5-[[4-chloro-2-(2-methoxyethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725603
2-[5-[(2-butoxy-4-chlorophenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725595
2-[5-[[4-chloro-2-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725614
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile
CID 55104413
2-[5-[[4-chloro-2-(1-phenylethoxy)phenyl]methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
CID 86725633
2-[3-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56758099
3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile
CID 113269444

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile (CID 86725514) is 2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile is COc1cccc(COc2ccnn2-c2cc(C#N)ccn2)c1.
What is the InChIKey of 2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is BUHYLUAWCDKZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-22-15-4-2-3-14(9-15)12-23-17-6-8-20-21(17)16-10-13(11-18)5-7-19-16/h2-10H,12H2,1H3.
What are the key properties of 2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile?
2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile has a molecular weight of 306.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-methoxyphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 86725514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).