2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile

C13H22N4 — CID 64725352

IUPAC2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile
SMILESCNC(C)(C#N)CC(C)n1nc(C)c(C)c1C
InChIInChI=1S/C13H22N4/c1-9(7-13(5,8-14)15-6)17-12(4)10(2)11(3)16-17/h9,15H,7H2,1-6H3
InChIKeyMBAQKUDCZJMAGI-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile

2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile (PubChem CID 64725352) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile
PubChem CID64725352
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile
SMILESCNC(C)(C#N)CC(C)n1nc(C)c(C)c1C
InChIInChI=1S/C13H22N4/c1-9(7-13(5,8-14)15-6)17-12(4)10(2)11(3)16-17/h9,15H,7H2,1-6H3
InChIKeyMBAQKUDCZJMAGI-UHFFFAOYSA-N
XLogP2.26
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile (CID 64725352) is 2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile is CNC(C)(C#N)CC(C)n1nc(C)c(C)c1C.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile?
The InChIKey is MBAQKUDCZJMAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(7-13(5,8-14)15-6)17-12(4)10(2)11(3)16-17/h9,15H,7H2,1-6H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile?
2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile has a molecular weight of 234.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentanenitrile is sourced from PubChem (CID 64725352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).