2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile

C11H16N4O — CID 79583834

IUPAC2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile
SMILESCc1c(C(C#N)N2CCOCC2)cnn1C
InChIInChI=1S/C11H16N4O/c1-9-10(8-13-14(9)2)11(7-12)15-3-5-16-6-4-15/h8,11H,3-6H2,1-2H3
InChIKeyAYAKMNYXEVRICY-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.63
Rot. Bonds2

About 2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile

2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile (PubChem CID 79583834) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile
PubChem CID79583834
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile
SMILESCc1c(C(C#N)N2CCOCC2)cnn1C
InChIInChI=1S/C11H16N4O/c1-9-10(8-13-14(9)2)11(7-12)15-3-5-16-6-4-15/h8,11H,3-6H2,1-2H3
InChIKeyAYAKMNYXEVRICY-UHFFFAOYSA-N
XLogP0.63
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile (CID 79583834) is 2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile is Cc1c(C(C#N)N2CCOCC2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile?
The InChIKey is AYAKMNYXEVRICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9-10(8-13-14(9)2)11(7-12)15-3-5-16-6-4-15/h8,11H,3-6H2,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile?
2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile has a molecular weight of 220.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 79583834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).