5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile

C8H10N6 — CID 102795727

IUPAC5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile
SMILESCNc1nn(CCC#N)c(N)c1C#N
InChIInChI=1S/C8H10N6/c1-12-8-6(5-10)7(11)14(13-8)4-2-3-9/h2,4,11H2,1H3,(H,12,13)
InChIKeyCLXGMYBSOFOYLC-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.29
Rot. Bonds3

About 5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile

5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile (PubChem CID 102795727) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile
PubChem CID102795727
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile
SMILESCNc1nn(CCC#N)c(N)c1C#N
InChIInChI=1S/C8H10N6/c1-12-8-6(5-10)7(11)14(13-8)4-2-3-9/h2,4,11H2,1H3,(H,12,13)
InChIKeyCLXGMYBSOFOYLC-UHFFFAOYSA-N
XLogP0.29
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile 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

5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile
CID 102795991
5-amino-1-[(4-bromophenyl)methyl]-3-(methylamino)pyrazole-4-carbonitrile
CID 102796548
5-amino-1-propyl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796033
5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795333
5-amino-1-(2-cyanoethyl)-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile
CID 102795729
5-amino-1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102796662
5-amino-3-(butylamino)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796672
3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile
CID 102825730
7-amino-2,3-dimethyl-5-(methylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 167162961
5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile
CID 102796021
5-chloro-1-(2-cyanoethyl)-3-ethylpyrazole-4-carbonitrile
CID 63788781
5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795584

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile (CID 102795727) is 5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile is CNc1nn(CCC#N)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile?
The InChIKey is CLXGMYBSOFOYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-12-8-6(5-10)7(11)14(13-8)4-2-3-9/h2,4,11H2,1H3,(H,12,13).
What are the key properties of 5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile?
5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile has a molecular weight of 190.21 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).