2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine

C16H20N4 — CID 103015036

IUPAC2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine
SMILESCn1cc(CCn2cc(CCN)c3ccccc32)cn1
InChIInChI=1S/C16H20N4/c1-19-11-13(10-18-19)7-9-20-12-14(6-8-17)15-4-2-3-5-16(15)20/h2-5,10-12H,6-9,17H2,1H3
InChIKeyAPRBWNCHSGXTTD-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.12
Rot. Bonds5

About 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine

2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine (PubChem CID 103015036) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine
PubChem CID103015036
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine
SMILESCn1cc(CCn2cc(CCN)c3ccccc32)cn1
InChIInChI=1S/C16H20N4/c1-19-11-13(10-18-19)7-9-20-12-14(6-8-17)15-4-2-3-5-16(15)20/h2-5,10-12H,6-9,17H2,1H3
InChIKeyAPRBWNCHSGXTTD-UHFFFAOYSA-N
XLogP2.12
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine?
The IUPAC name of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine (CID 103015036) is 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine is Cn1cc(CCn2cc(CCN)c3ccccc32)cn1.
What is the InChIKey of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine?
The InChIKey is APRBWNCHSGXTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-19-11-13(10-18-19)7-9-20-12-14(6-8-17)15-4-2-3-5-16(15)20/h2-5,10-12H,6-9,17H2,1H3.
What are the key properties of 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine?
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine has a molecular weight of 268.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine is sourced from PubChem (CID 103015036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).