2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine

C15H19N5 — CID 103015076

IUPAC2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESCn1nccc1CCn1cc(CCN)c2cccnc21
InChIInChI=1S/C15H19N5/c1-19-13(5-9-18-19)6-10-20-11-12(4-7-16)14-3-2-8-17-15(14)20/h2-3,5,8-9,11H,4,6-7,10,16H2,1H3
InChIKeyNAFMSOAVGUFFTJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.51
Rot. Bonds5

About 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine

2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine (PubChem CID 103015076) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
PubChem CID103015076
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESCn1nccc1CCn1cc(CCN)c2cccnc21
InChIInChI=1S/C15H19N5/c1-19-13(5-9-18-19)6-10-20-11-12(4-7-16)14-3-2-8-17-15(14)20/h2-3,5,8-9,11H,4,6-7,10,16H2,1H3
InChIKeyNAFMSOAVGUFFTJ-UHFFFAOYSA-N
XLogP1.51
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine (CID 103015076) is 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine is Cn1nccc1CCn1cc(CCN)c2cccnc21.
What is the InChIKey of 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The InChIKey is NAFMSOAVGUFFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-19-13(5-9-18-19)6-10-20-11-12(4-7-16)14-3-2-8-17-15(14)20/h2-3,5,8-9,11H,4,6-7,10,16H2,1H3.
What are the key properties of 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 103015076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).