5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

C13H14N6O — CID 119068617

IUPAC5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCC(C(=O)N1CCn2nc(C#N)cc2C1)n1cccn1
InChIInChI=1S/C13H14N6O/c1-10(18-4-2-3-15-18)13(20)17-5-6-19-12(9-17)7-11(8-14)16-19/h2-4,7,10H,5-6,9H2,1H3
InChIKeyPXUZQARXZIJLDU-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.55
Rot. Bonds2

About 5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (PubChem CID 119068617) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
PubChem CID119068617
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCC(C(=O)N1CCn2nc(C#N)cc2C1)n1cccn1
InChIInChI=1S/C13H14N6O/c1-10(18-4-2-3-15-18)13(20)17-5-6-19-12(9-17)7-11(8-14)16-19/h2-4,7,10H,5-6,9H2,1H3
InChIKeyPXUZQARXZIJLDU-UHFFFAOYSA-N
XLogP0.55
TPSA79.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The IUPAC name of 5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (CID 119068617) is 5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is CC(C(=O)N1CCn2nc(C#N)cc2C1)n1cccn1.
What is the InChIKey of 5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The InChIKey is PXUZQARXZIJLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-10(18-4-2-3-15-18)13(20)17-5-6-19-12(9-17)7-11(8-14)16-19/h2-4,7,10H,5-6,9H2,1H3.
What are the key properties of 5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile has a molecular weight of 270.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrazol-1-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is sourced from PubChem (CID 119068617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).