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

C12H19N5 — CID 79983157

IUPAC2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESCC(C)n1ccc(Cn2cnc(CCN)c2)n1
InChIInChI=1S/C12H19N5/c1-10(2)17-6-4-12(15-17)8-16-7-11(3-5-13)14-9-16/h4,6-7,9-10H,3,5,8,13H2,1-2H3
InChIKeyQNGCCPLXFCPXTM-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.21
Rot. Bonds5

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

2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine (PubChem CID 79983157) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
PubChem CID79983157
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESCC(C)n1ccc(Cn2cnc(CCN)c2)n1
InChIInChI=1S/C12H19N5/c1-10(2)17-6-4-12(15-17)8-16-7-11(3-5-13)14-9-16/h4,6-7,9-10H,3,5,8,13H2,1-2H3
InChIKeyQNGCCPLXFCPXTM-UHFFFAOYSA-N
XLogP1.21
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine (CID 79983157) is 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine is CC(C)n1ccc(Cn2cnc(CCN)c2)n1.
What is the InChIKey of 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is QNGCCPLXFCPXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-10(2)17-6-4-12(15-17)8-16-7-11(3-5-13)14-9-16/h4,6-7,9-10H,3,5,8,13H2,1-2H3.
What are the key properties of 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine?
2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 233.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 79983157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).