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

C16H18N4 — CID 131902160

IUPAC5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCC(CN1CCn2nc(C#N)cc2C1)c1ccccc1
InChIInChI=1S/C16H18N4/c1-13(14-5-3-2-4-6-14)11-19-7-8-20-16(12-19)9-15(10-17)18-20/h2-6,9,13H,7-8,11-12H2,1H3
InChIKeyCGIQUUFCFCWQDQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.37
Rot. Bonds3

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

5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (PubChem CID 131902160) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
PubChem CID131902160
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
SMILESCC(CN1CCn2nc(C#N)cc2C1)c1ccccc1
InChIInChI=1S/C16H18N4/c1-13(14-5-3-2-4-6-14)11-19-7-8-20-16(12-19)9-15(10-17)18-20/h2-6,9,13H,7-8,11-12H2,1H3
InChIKeyCGIQUUFCFCWQDQ-UHFFFAOYSA-N
XLogP2.37
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The IUPAC name of 5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (CID 131902160) is 5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is CC(CN1CCn2nc(C#N)cc2C1)c1ccccc1.
What is the InChIKey of 5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
The InChIKey is CGIQUUFCFCWQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-13(14-5-3-2-4-6-14)11-19-7-8-20-16(12-19)9-15(10-17)18-20/h2-6,9,13H,7-8,11-12H2,1H3.
What are the key properties of 5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?
5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is sourced from PubChem (CID 131902160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).