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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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).