6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile

C12H12N4O — CID 116801270

IUPAC6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile
SMILESCC(C)n1cc(Oc2cccc(C#N)n2)cn1
InChIInChI=1S/C12H12N4O/c1-9(2)16-8-11(7-14-16)17-12-5-3-4-10(6-13)15-12/h3-5,7-9H,1-2H3
InChIKeyVESXSEYEKIAUAE-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.52
Rot. Bonds3

About 6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile

6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile (PubChem CID 116801270) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile
PubChem CID116801270
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile
SMILESCC(C)n1cc(Oc2cccc(C#N)n2)cn1
InChIInChI=1S/C12H12N4O/c1-9(2)16-8-11(7-14-16)17-12-5-3-4-10(6-13)15-12/h3-5,7-9H,1-2H3
InChIKeyVESXSEYEKIAUAE-UHFFFAOYSA-N
XLogP2.52
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-propan-2-yloxyphenoxy)pyridine-2-carbonitrile
CID 133392591
6-(4-hydroxyphenoxy)pyridine-2-carbonitrile
CID 64588999
6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850
5-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)benzonitrile
CID 116801286
4-(1-propan-2-ylpyrazol-4-yl)oxyquinoline-3-carbonitrile
CID 116801257
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
4-bromo-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidine
CID 116801148
6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile
CID 133392619
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761
4-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116806571
5-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxybenzonitrile
CID 114891103
[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine
CID 116800179

Frequently Asked Questions

What is the IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile?
The IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile (CID 116801270) is 6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile.
What is the SMILES notation for 6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile?
The canonical SMILES for 6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile is CC(C)n1cc(Oc2cccc(C#N)n2)cn1.
What is the InChIKey of 6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile?
The InChIKey is VESXSEYEKIAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9(2)16-8-11(7-14-16)17-12-5-3-4-10(6-13)15-12/h3-5,7-9H,1-2H3.
What are the key properties of 6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile?
6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propan-2-ylpyrazol-4-yl)oxypyridine-2-carbonitrile is sourced from PubChem (CID 116801270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).