2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile

C12H12N4O — CID 81346292

IUPAC2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Oc2cc(C)nn2C)n1
InChIInChI=1S/C12H12N4O/c1-8-4-5-10(7-13)12(14-8)17-11-6-9(2)15-16(11)3/h4-6H,1-3H3
InChIKeyDIBDQRXBOWTYOI-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.10
Rot. Bonds2

About 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile

2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile (PubChem CID 81346292) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile
PubChem CID81346292
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Oc2cc(C)nn2C)n1
InChIInChI=1S/C12H12N4O/c1-8-4-5-10(7-13)12(14-8)17-11-6-9(2)15-16(11)3/h4-6H,1-3H3
InChIKeyDIBDQRXBOWTYOI-UHFFFAOYSA-N
XLogP2.10
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile (CID 81346292) is 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(Oc2cc(C)nn2C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile?
The InChIKey is DIBDQRXBOWTYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-4-5-10(7-13)12(14-8)17-11-6-9(2)15-16(11)3/h4-6H,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile?
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 81346292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).