3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile

C13H19N5O — CID 84587066

IUPAC3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile
SMILESCC(C)N1CCC(Nc2ccn(CCC#N)n2)C1=O
InChIInChI=1S/C13H19N5O/c1-10(2)18-9-4-11(13(18)19)15-12-5-8-17(16-12)7-3-6-14/h5,8,10-11H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyWHINFKXJMVDSCQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.22
Rot. Bonds5

About 3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile

3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile (PubChem CID 84587066) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile
PubChem CID84587066
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile
SMILESCC(C)N1CCC(Nc2ccn(CCC#N)n2)C1=O
InChIInChI=1S/C13H19N5O/c1-10(2)18-9-4-11(13(18)19)15-12-5-8-17(16-12)7-3-6-14/h5,8,10-11H,3-4,7,9H2,1-2H3,(H,15,16)
InChIKeyWHINFKXJMVDSCQ-UHFFFAOYSA-N
XLogP1.22
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile (CID 84587066) is 3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile is CC(C)N1CCC(Nc2ccn(CCC#N)n2)C1=O.
What is the InChIKey of 3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile?
The InChIKey is WHINFKXJMVDSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)18-9-4-11(13(18)19)15-12-5-8-17(16-12)7-3-6-14/h5,8,10-11H,3-4,7,9H2,1-2H3,(H,15,16).
What are the key properties of 3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile?
3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile has a molecular weight of 261.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)amino]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 84587066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).