2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine

C10H15N5 — CID 106211999

IUPAC2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine
SMILESCC(c1cn[nH]c1)n1cncc1CCN
InChIInChI=1S/C10H15N5/c1-8(9-4-13-14-5-9)15-7-12-6-10(15)2-3-11/h4-8H,2-3,11H2,1H3,(H,13,14)
InChIKeyDAKLDQGFGLFTIV-UHFFFAOYSA-N
MW205.27 g/mol
LogP0.72
Rot. Bonds4

About 2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine

2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 106211999) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine
PubChem CID106211999
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine
SMILESCC(c1cn[nH]c1)n1cncc1CCN
InChIInChI=1S/C10H15N5/c1-8(9-4-13-14-5-9)15-7-12-6-10(15)2-3-11/h4-8H,2-3,11H2,1H3,(H,13,14)
InChIKeyDAKLDQGFGLFTIV-UHFFFAOYSA-N
XLogP0.72
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine (CID 106211999) is 2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine is CC(c1cn[nH]c1)n1cncc1CCN.
What is the InChIKey of 2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is DAKLDQGFGLFTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-8(9-4-13-14-5-9)15-7-12-6-10(15)2-3-11/h4-8H,2-3,11H2,1H3,(H,13,14).
What are the key properties of 2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine?
2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 205.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 106211999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).