2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine

C13H21N5 — CID 79983158

IUPAC2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESCCC(C)n1ccc(Cn2cnc(CCN)c2)n1
InChIInChI=1S/C13H21N5/c1-3-11(2)18-7-5-13(16-18)9-17-8-12(4-6-14)15-10-17/h5,7-8,10-11H,3-4,6,9,14H2,1-2H3
InChIKeyXEXLMCJLLHDGDS-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.60
Rot. Bonds6

About 2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine

2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine (PubChem CID 79983158) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
PubChem CID79983158
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESCCC(C)n1ccc(Cn2cnc(CCN)c2)n1
InChIInChI=1S/C13H21N5/c1-3-11(2)18-7-5-13(16-18)9-17-8-12(4-6-14)15-10-17/h5,7-8,10-11H,3-4,6,9,14H2,1-2H3
InChIKeyXEXLMCJLLHDGDS-UHFFFAOYSA-N
XLogP1.60
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine (CID 79983158) is 2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine is CCC(C)n1ccc(Cn2cnc(CCN)c2)n1.
What is the InChIKey of 2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is XEXLMCJLLHDGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-11(2)18-7-5-13(16-18)9-17-8-12(4-6-14)15-10-17/h5,7-8,10-11H,3-4,6,9,14H2,1-2H3.
What are the key properties of 2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine?
2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79983158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).