5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

C14H24N4 — CID 55241928

IUPAC5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCC(CC)CN(CC)c1c(C#N)c(C)nn1C
InChIInChI=1S/C14H24N4/c1-6-12(7-2)10-18(8-3)14-13(9-15)11(4)16-17(14)5/h12H,6-8,10H2,1-5H3
InChIKeyJKNYSOUPEOXGIN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.86
Rot. Bonds6

About 5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 55241928) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID55241928
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCC(CC)CN(CC)c1c(C#N)c(C)nn1C
InChIInChI=1S/C14H24N4/c1-6-12(7-2)10-18(8-3)14-13(9-15)11(4)16-17(14)5/h12H,6-8,10H2,1-5H3
InChIKeyJKNYSOUPEOXGIN-UHFFFAOYSA-N
XLogP2.86
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (CID 55241928) is 5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is CCC(CC)CN(CC)c1c(C#N)c(C)nn1C.
What is the InChIKey of 5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is JKNYSOUPEOXGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-6-12(7-2)10-18(8-3)14-13(9-15)11(4)16-17(14)5/h12H,6-8,10H2,1-5H3.
What are the key properties of 5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 248.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-ethylbutyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 55241928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).