6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile

C13H13N5 — CID 126946418

IUPAC6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(n3cccn3)C2)nc1
InChIInChI=1S/C13H13N5/c14-8-11-2-3-13(15-9-11)17-7-4-12(10-17)18-6-1-5-16-18/h1-3,5-6,9,12H,4,7,10H2
InChIKeyPUEBIOQIVZQZKZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.60
Rot. Bonds2

About 6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile

6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile (PubChem CID 126946418) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
PubChem CID126946418
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(n3cccn3)C2)nc1
InChIInChI=1S/C13H13N5/c14-8-11-2-3-13(15-9-11)17-7-4-12(10-17)18-6-1-5-16-18/h1-3,5-6,9,12H,4,7,10H2
InChIKeyPUEBIOQIVZQZKZ-UHFFFAOYSA-N
XLogP1.60
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 126946416
6-(3-morpholin-4-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 172899261
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
6-(3-morpholin-4-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 175647980
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
2-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
CID 126891739
6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
CID 163351951
3-(5-cyano-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 170168129
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile (CID 126946418) is 6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(n3cccn3)C2)nc1.
What is the InChIKey of 6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is PUEBIOQIVZQZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-8-11-2-3-13(15-9-11)17-7-4-12(10-17)18-6-1-5-16-18/h1-3,5-6,9,12H,4,7,10H2.
What are the key properties of 6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 126946418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).