2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

C17H22N4 — CID 119128941

IUPAC2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCc1cccc2c(CCNCc3cnn(C)c3)c[nH]c12
InChIInChI=1S/C17H22N4/c1-3-14-5-4-6-16-15(11-19-17(14)16)7-8-18-9-13-10-20-21(2)12-13/h4-6,10-12,18-19H,3,7-9H2,1-2H3
InChIKeyYWZFCOCBDYJIST-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.80
Rot. Bonds6

About 2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 119128941) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID119128941
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCc1cccc2c(CCNCc3cnn(C)c3)c[nH]c12
InChIInChI=1S/C17H22N4/c1-3-14-5-4-6-16-15(11-19-17(14)16)7-8-18-9-13-10-20-21(2)12-13/h4-6,10-12,18-19H,3,7-9H2,1-2H3
InChIKeyYWZFCOCBDYJIST-UHFFFAOYSA-N
XLogP2.80
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine
CID 119128944
1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 19626513
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64828771
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111117711
4-[2-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenol
CID 61238205
N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730059
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730122
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111117710
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119956973

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (CID 119128941) is 2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is CCc1cccc2c(CCNCc3cnn(C)c3)c[nH]c12.
What is the InChIKey of 2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is YWZFCOCBDYJIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-14-5-4-6-16-15(11-19-17(14)16)7-8-18-9-13-10-20-21(2)12-13/h4-6,10-12,18-19H,3,7-9H2,1-2H3.
What are the key properties of 2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 119128941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).