3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile

C13H22N4 — CID 55101844

IUPAC3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)c1c(C)nn(C)c1C
InChIInChI=1S/C13H22N4/c1-6-12(7-8-14)15-9(2)13-10(3)16-17(5)11(13)4/h9,12,15H,6-7H2,1-5H3
InChIKeyHZRKGBZYVWCFAI-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.38
Rot. Bonds5

About 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile

3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile (PubChem CID 55101844) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile
PubChem CID55101844
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)c1c(C)nn(C)c1C
InChIInChI=1S/C13H22N4/c1-6-12(7-8-14)15-9(2)13-10(3)16-17(5)11(13)4/h9,12,15H,6-7H2,1-5H3
InChIKeyHZRKGBZYVWCFAI-UHFFFAOYSA-N
XLogP2.38
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile?
The IUPAC name of 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile (CID 55101844) is 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile.
What is the SMILES notation for 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile?
The canonical SMILES for 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile is CCC(CC#N)NC(C)c1c(C)nn(C)c1C.
What is the InChIKey of 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile?
The InChIKey is HZRKGBZYVWCFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-6-12(7-8-14)15-9(2)13-10(3)16-17(5)11(13)4/h9,12,15H,6-7H2,1-5H3.
What are the key properties of 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile?
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile has a molecular weight of 234.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentanenitrile is sourced from PubChem (CID 55101844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).