5-amino-1-ethylpyrazole-4-carbonitrile

C6H8N4 — CID 10796792

IUPAC5-amino-1-ethylpyrazole-4-carbonitrile
SMILESCCn1ncc(C#N)c1N
InChIInChI=1S/C6H8N4/c1-2-10-6(8)5(3-7)4-9-10/h4H,2,8H2,1H3
InChIKeyUXCCGIWVLMDSPZ-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.36
Rot. Bonds1

About 5-amino-1-ethylpyrazole-4-carbonitrile

5-amino-1-ethylpyrazole-4-carbonitrile (PubChem CID 10796792) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 5-amino-1-ethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-ethylpyrazole-4-carbonitrile
PubChem CID10796792
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name5-amino-1-ethylpyrazole-4-carbonitrile
SMILESCCn1ncc(C#N)c1N
InChIInChI=1S/C6H8N4/c1-2-10-6(8)5(3-7)4-9-10/h4H,2,8H2,1H3
InChIKeyUXCCGIWVLMDSPZ-UHFFFAOYSA-N
XLogP0.36
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-ethylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-ethylpyrazole-4-carbonitrile (CID 10796792) is 5-amino-1-ethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-ethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-ethylpyrazole-4-carbonitrile is CCn1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-ethylpyrazole-4-carbonitrile?
The InChIKey is UXCCGIWVLMDSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-2-10-6(8)5(3-7)4-9-10/h4H,2,8H2,1H3.
What are the key properties of 5-amino-1-ethylpyrazole-4-carbonitrile?
5-amino-1-ethylpyrazole-4-carbonitrile has a molecular weight of 136.16 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethylpyrazole-4-carbonitrile is sourced from PubChem (CID 10796792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).