2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine

C11H21N3 — CID 62446833

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine
SMILESCNCC(C(C)C)n1nc(C)cc1C
InChIInChI=1S/C11H21N3/c1-8(2)11(7-12-5)14-10(4)6-9(3)13-14/h6,8,11-12H,7H2,1-5H3
InChIKeyGPKWUIYRFONCGU-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.92
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine

2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine (PubChem CID 62446833) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine
PubChem CID62446833
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine
SMILESCNCC(C(C)C)n1nc(C)cc1C
InChIInChI=1S/C11H21N3/c1-8(2)11(7-12-5)14-10(4)6-9(3)13-14/h6,8,11-12H,7H2,1-5H3
InChIKeyGPKWUIYRFONCGU-UHFFFAOYSA-N
XLogP1.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine (CID 62446833) is 2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine is CNCC(C(C)C)n1nc(C)cc1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is GPKWUIYRFONCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)11(7-12-5)14-10(4)6-9(3)13-14/h6,8,11-12H,7H2,1-5H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine?
2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 62446833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).