4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile

C15H18N4 — CID 104693858

IUPAC4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile
SMILESCC(NCCc1ccnn1C)c1ccc(C#N)cc1
InChIInChI=1S/C15H18N4/c1-12(14-5-3-13(11-16)4-6-14)17-9-7-15-8-10-18-19(15)2/h3-6,8,10,12,17H,7,9H2,1-2H3
InChIKeyFFWRWAMATWJFGX-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.19
Rot. Bonds5

About 4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile

4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile (PubChem CID 104693858) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile
PubChem CID104693858
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile
SMILESCC(NCCc1ccnn1C)c1ccc(C#N)cc1
InChIInChI=1S/C15H18N4/c1-12(14-5-3-13(11-16)4-6-14)17-9-7-15-8-10-18-19(15)2/h3-6,8,10,12,17H,7,9H2,1-2H3
InChIKeyFFWRWAMATWJFGX-UHFFFAOYSA-N
XLogP2.19
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104693840
1-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104693888
4-[1-(2-pyrazol-1-ylethylamino)ethyl]benzonitrile
CID 54951278
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104695143
1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43681733
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
CID 104694997
2-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 103007006
(1R)-1-(2,5-dimethylfuran-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 100678259
4-[1-(2-ethoxyethylamino)ethyl]benzonitrile
CID 43590856

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile (CID 104693858) is 4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile is CC(NCCc1ccnn1C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile?
The InChIKey is FFWRWAMATWJFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-12(14-5-3-13(11-16)4-6-14)17-9-7-15-8-10-18-19(15)2/h3-6,8,10,12,17H,7,9H2,1-2H3.
What are the key properties of 4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile?
4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile is sourced from PubChem (CID 104693858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).