2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile

C16H20N4 — CID 46989853

IUPAC2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile
SMILESCCN(Cc1cnn(CC)c1)Cc1ccccc1C#N
InChIInChI=1S/C16H20N4/c1-3-19(11-14-10-18-20(4-2)12-14)13-16-8-6-5-7-15(16)9-17/h5-8,10,12H,3-4,11,13H2,1-2H3
InChIKeyMEUGRWAHXWNLSP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.80
Rot. Bonds6

About 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile

2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile (PubChem CID 46989853) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile
PubChem CID46989853
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile
SMILESCCN(Cc1cnn(CC)c1)Cc1ccccc1C#N
InChIInChI=1S/C16H20N4/c1-3-19(11-14-10-18-20(4-2)12-14)13-16-8-6-5-7-15(16)9-17/h5-8,10,12H,3-4,11,13H2,1-2H3
InChIKeyMEUGRWAHXWNLSP-UHFFFAOYSA-N
XLogP2.80
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylpyrazol-1-yl)methyl]benzonitrile
CID 130219428
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
CID 51110440
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile
CID 55211862
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
2-[[ethyl(3-hydroxypropyl)amino]methyl]benzonitrile
CID 115582111
1,4-diethylpyrazole;ethane
CID 143641951
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
2-[[benzyl(ethyl)amino]methyl]-4-fluorobenzonitrile
CID 103760548
N-[(1-ethylpyrazol-4-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 77085890
N-[(1-methylpyrazol-4-yl)methyl]-N-[(2-methylsulfanylphenyl)methyl]ethanamine
CID 77084279
2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane
CID 143170148

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile?
The IUPAC name of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile (CID 46989853) is 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile?
The canonical SMILES for 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile is CCN(Cc1cnn(CC)c1)Cc1ccccc1C#N.
What is the InChIKey of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile?
The InChIKey is MEUGRWAHXWNLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-19(11-14-10-18-20(4-2)12-14)13-16-8-6-5-7-15(16)9-17/h5-8,10,12H,3-4,11,13H2,1-2H3.
What are the key properties of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile?
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile has a molecular weight of 268.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]amino]methyl]benzonitrile is sourced from PubChem (CID 46989853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).