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

Related Compounds

2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126947868
1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947693
1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947717
1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947907
1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947843
1-cyclobutylpyrazole-4-carbonitrile
CID 105429045
1-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947839
1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947830
1-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947750
1-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947753
1-(thian-4-yl)pyrazole-4-carbonitrile
CID 84733123
3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 172905390

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).