1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile

C16H12N4O — CID 82220284

IUPAC1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
SMILESCOc1cccc(-n2nc(C#N)cc2-c2ccccn2)c1
InChIInChI=1S/C16H12N4O/c1-21-14-6-4-5-13(10-14)20-16(9-12(11-17)19-20)15-7-2-3-8-18-15/h2-10H,1H3
InChIKeyWSDCRQFESMVGGU-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.81
Rot. Bonds3

About 1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile

1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile (PubChem CID 82220284) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
PubChem CID82220284
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
SMILESCOc1cccc(-n2nc(C#N)cc2-c2ccccn2)c1
InChIInChI=1S/C16H12N4O/c1-21-14-6-4-5-13(10-14)20-16(9-12(11-17)19-20)15-7-2-3-8-18-15/h2-10H,1H3
InChIKeyWSDCRQFESMVGGU-UHFFFAOYSA-N
XLogP2.81
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
CID 82220283
1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile
CID 94962126
5-pyridin-2-yl-1-quinolin-8-ylpyrazole-3-carbonitrile
CID 82220280
1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370915
2-(3-methoxyphenyl)pyrazole-3-carbonitrile
CID 105452002
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate
CID 139080745
5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 58806840
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 163352079
2-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine;dihydrate
CID 139068037
7-methoxy-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 117143060

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile?
The IUPAC name of 1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile (CID 82220284) is 1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile?
The canonical SMILES for 1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile is COc1cccc(-n2nc(C#N)cc2-c2ccccn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile?
The InChIKey is WSDCRQFESMVGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-21-14-6-4-5-13(10-14)20-16(9-12(11-17)19-20)15-7-2-3-8-18-15/h2-10H,1H3.
What are the key properties of 1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile?
1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile is sourced from PubChem (CID 82220284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).