4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile

C24H24N4O — CID 144910112

IUPAC4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile
SMILESCCCC1CN(Cc2ccc(C#N)cc2)C(=O)c2cc(-c3ccc(C)cc3)nn21
InChIInChI=1S/C24H24N4O/c1-3-4-21-16-27(15-19-9-7-18(14-25)8-10-19)24(29)23-13-22(26-28(21)23)20-11-5-17(2)6-12-20/h5-13,21H,3-4,15-16H2,1-2H3
InChIKeyCDDFOWMKUNRMNH-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.73
Rot. Bonds5

About 4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile

4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile (PubChem CID 144910112) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile
PubChem CID144910112
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile
SMILESCCCC1CN(Cc2ccc(C#N)cc2)C(=O)c2cc(-c3ccc(C)cc3)nn21
InChIInChI=1S/C24H24N4O/c1-3-4-21-16-27(15-19-9-7-18(14-25)8-10-19)24(29)23-13-22(26-28(21)23)20-11-5-17(2)6-12-20/h5-13,21H,3-4,15-16H2,1-2H3
InChIKeyCDDFOWMKUNRMNH-UHFFFAOYSA-N
XLogP4.73
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile?
The IUPAC name of 4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile (CID 144910112) is 4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile is CCCC1CN(Cc2ccc(C#N)cc2)C(=O)c2cc(-c3ccc(C)cc3)nn21.
What is the InChIKey of 4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile?
The InChIKey is CDDFOWMKUNRMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-3-4-21-16-27(15-19-9-7-18(14-25)8-10-19)24(29)23-13-22(26-28(21)23)20-11-5-17(2)6-12-20/h5-13,21H,3-4,15-16H2,1-2H3.
What are the key properties of 4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile?
4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile has a molecular weight of 384.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methylphenyl)-4-oxo-7-propyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile is sourced from PubChem (CID 144910112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).