1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine

C16H20N4 — CID 19626669

IUPAC1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine
SMILESCCn1ccc(C(C)NCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C16H20N4/c1-3-20-9-8-15(19-20)12(2)17-10-13-11-18-16-7-5-4-6-14(13)16/h4-9,11-12,17-18H,3,10H2,1-2H3
InChIKeyLNIJGKPYHPODML-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.24
Rot. Bonds5

About 1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine

1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine (PubChem CID 19626669) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine
PubChem CID19626669
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine
SMILESCCn1ccc(C(C)NCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C16H20N4/c1-3-20-9-8-15(19-20)12(2)17-10-13-11-18-16-7-5-4-6-14(13)16/h4-9,11-12,17-18H,3,10H2,1-2H3
InChIKeyLNIJGKPYHPODML-UHFFFAOYSA-N
XLogP3.24
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine (CID 19626669) is 1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine is CCn1ccc(C(C)NCc2c[nH]c3ccccc23)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine?
The InChIKey is LNIJGKPYHPODML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-20-9-8-15(19-20)12(2)17-10-13-11-18-16-7-5-4-6-14(13)16/h4-9,11-12,17-18H,3,10H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine?
1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine has a molecular weight of 268.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-N-(1H-indol-3-ylmethyl)ethanamine is sourced from PubChem (CID 19626669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).