1-ethylpyrazole-3-carbonitrile

C6H7N3 — CID 19620692

IUPAC1-ethylpyrazole-3-carbonitrile
SMILESCCn1ccc(C#N)n1
InChIInChI=1S/C6H7N3/c1-2-9-4-3-6(5-7)8-9/h3-4H,2H2,1H3
InChIKeyHUECRBCJOIYWSB-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.77
Rot. Bonds1

About 1-ethylpyrazole-3-carbonitrile

1-ethylpyrazole-3-carbonitrile (PubChem CID 19620692) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 1-ethylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-ethylpyrazole-3-carbonitrile
PubChem CID19620692
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name1-ethylpyrazole-3-carbonitrile
SMILESCCn1ccc(C#N)n1
InChIInChI=1S/C6H7N3/c1-2-9-4-3-6(5-7)8-9/h3-4H,2H2,1H3
InChIKeyHUECRBCJOIYWSB-UHFFFAOYSA-N
XLogP0.77
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethylpyrazole-3-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 1-ethylpyrazole-3-carbonitrile?
The IUPAC name of 1-ethylpyrazole-3-carbonitrile (CID 19620692) is 1-ethylpyrazole-3-carbonitrile.
What is the SMILES notation for 1-ethylpyrazole-3-carbonitrile?
The canonical SMILES for 1-ethylpyrazole-3-carbonitrile is CCn1ccc(C#N)n1.
What is the InChIKey of 1-ethylpyrazole-3-carbonitrile?
The InChIKey is HUECRBCJOIYWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-9-4-3-6(5-7)8-9/h3-4H,2H2,1H3.
What are the key properties of 1-ethylpyrazole-3-carbonitrile?
1-ethylpyrazole-3-carbonitrile has a molecular weight of 121.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrazole-3-carbonitrile is sourced from PubChem (CID 19620692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).