3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

C13H11N7 — CID 126947642

IUPAC3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnn(C2CCN(c3nccnc3C#N)C2)c1
InChIInChI=1S/C13H11N7/c14-5-10-7-18-20(8-10)11-1-4-19(9-11)13-12(6-15)16-2-3-17-13/h2-3,7-8,11H,1,4,9H2
InChIKeyQYKVNTOVHRWLJW-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.87
Rot. Bonds2

About 3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile

3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 126947642) has the molecular formula C13H11N7 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID126947642
Molecular FormulaC13H11N7
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnn(C2CCN(c3nccnc3C#N)C2)c1
InChIInChI=1S/C13H11N7/c14-5-10-7-18-20(8-10)11-1-4-19(9-11)13-12(6-15)16-2-3-17-13/h2-3,7-8,11H,1,4,9H2
InChIKeyQYKVNTOVHRWLJW-UHFFFAOYSA-N
XLogP0.87
TPSA94.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-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 3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 126947642) is 3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnn(C2CCN(c3nccnc3C#N)C2)c1.
What is the InChIKey of 3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is QYKVNTOVHRWLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7/c14-5-10-7-18-20(8-10)11-1-4-19(9-11)13-12(6-15)16-2-3-17-13/h2-3,7-8,11H,1,4,9H2.
What are the key properties of 3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile?
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 126947642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).