1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine

C11H17N5 — CID 62137892

IUPAC1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine
SMILESCC(C)c1nccn1CCn1cc(N)cn1
InChIInChI=1S/C11H17N5/c1-9(2)11-13-3-4-15(11)5-6-16-8-10(12)7-14-16/h3-4,7-9H,5-6,12H2,1-2H3
InChIKeyOGHVUTZUAFBJGK-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.49
Rot. Bonds4

About 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine

1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine (PubChem CID 62137892) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine
PubChem CID62137892
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine
SMILESCC(C)c1nccn1CCn1cc(N)cn1
InChIInChI=1S/C11H17N5/c1-9(2)11-13-3-4-15(11)5-6-16-8-10(12)7-14-16/h3-4,7-9H,5-6,12H2,1-2H3
InChIKeyOGHVUTZUAFBJGK-UHFFFAOYSA-N
XLogP1.49
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine (CID 62137892) is 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine is CC(C)c1nccn1CCn1cc(N)cn1.
What is the InChIKey of 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine?
The InChIKey is OGHVUTZUAFBJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9(2)11-13-3-4-15(11)5-6-16-8-10(12)7-14-16/h3-4,7-9H,5-6,12H2,1-2H3.
What are the key properties of 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine?
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine has a molecular weight of 219.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62137892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).