4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile

C14H13N5 — CID 107789369

IUPAC4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
SMILESCn1nccc1CCNc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H13N5/c1-19-14(5-7-18-19)4-6-17-13-3-2-11(9-15)12(8-13)10-16/h2-3,5,7-8,17H,4,6H2,1H3
InChIKeyJAPMMHSWJYJMEI-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.82
Rot. Bonds4

About 4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile

4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile (PubChem CID 107789369) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
PubChem CID107789369
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
SMILESCn1nccc1CCNc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H13N5/c1-19-14(5-7-18-19)4-6-17-13-3-2-11(9-15)12(8-13)10-16/h2-3,5,7-8,17H,4,6H2,1H3
InChIKeyJAPMMHSWJYJMEI-UHFFFAOYSA-N
XLogP1.82
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 107276357
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
4-fluoro-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzonitrile
CID 107904936
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
2-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 103007006
4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000858
3-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103007002
3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693945
3-cyano-4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693958
3-chloro-5-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107365450
2,3-difluoro-4-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 107933811
5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000865

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile (CID 107789369) is 4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile is Cn1nccc1CCNc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile?
The InChIKey is JAPMMHSWJYJMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-19-14(5-7-18-19)4-6-17-13-3-2-11(9-15)12(8-13)10-16/h2-3,5,7-8,17H,4,6H2,1H3.
What are the key properties of 4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile?
4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile has a molecular weight of 251.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107789369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).