5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

C9H12N4O2S — CID 131909147

IUPAC5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCCS(=O)(=O)N1CCn2nc(C#N)cc2C1
InChIInChI=1S/C9H12N4O2S/c1-2-16(14,15)12-3-4-13-9(7-12)5-8(6-10)11-13/h5H,2-4,7H2,1H3
InChIKeyPETLCAJMIZVTJV-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.08
Rot. Bonds2

About 5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (PubChem CID 131909147) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
PubChem CID131909147
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCCS(=O)(=O)N1CCn2nc(C#N)cc2C1
InChIInChI=1S/C9H12N4O2S/c1-2-16(14,15)12-3-4-13-9(7-12)5-8(6-10)11-13/h5H,2-4,7H2,1H3
InChIKeyPETLCAJMIZVTJV-UHFFFAOYSA-N
XLogP-0.08
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The IUPAC name of 5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (CID 131909147) is 5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The canonical SMILES for 5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is CCS(=O)(=O)N1CCn2nc(C#N)cc2C1.
What is the InChIKey of 5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The InChIKey is PETLCAJMIZVTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-2-16(14,15)12-3-4-13-9(7-12)5-8(6-10)11-13/h5H,2-4,7H2,1H3.
What are the key properties of 5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile has a molecular weight of 240.29 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is sourced from PubChem (CID 131909147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).