5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C16H19N3O — CID 44589362

IUPAC5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCN1CCn2nc(-c3ccccc3)cc2C1=O
InChIInChI=1S/C16H19N3O/c1-2-3-9-18-10-11-19-15(16(18)20)12-14(17-19)13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3
InChIKeyOVKIZRFFNPVKRC-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.81
Rot. Bonds4

About 5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 44589362) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID44589362
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCCCN1CCn2nc(-c3ccccc3)cc2C1=O
InChIInChI=1S/C16H19N3O/c1-2-3-9-18-10-11-19-15(16(18)20)12-14(17-19)13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3
InChIKeyOVKIZRFFNPVKRC-UHFFFAOYSA-N
XLogP2.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3H)granisetron
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5F-Cumyl-PINACA
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AB-Chminaca
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Granisetron (JAN/USAN/INN)
CID 5284566
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
App-butinaca
CID 154735174
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
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Granisetron hydrochloride (JAN/USP)
CID 6918003

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 44589362) is 5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CCCCN1CCn2nc(-c3ccccc3)cc2C1=O.
What is the InChIKey of 5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is OVKIZRFFNPVKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-3-9-18-10-11-19-15(16(18)20)12-14(17-19)13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3.
What are the key properties of 5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 269.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 44589362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).