5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C84H80FN13O8 — CID 158170858

IUPAC5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc([C@@H](C)N2CCn3nc(COc4ccccc4)cc3C2=O)cc1.Cc1cccc(OCc2cc3n(n2)CCN(Cc2ccccc2)C3=O)c1.O=C1c2cc(COc3ccc(F)cc3)nn2CCN1Cc1ccccc1.[C-]#[N+]c1cccc(OCc2cc3n(n2)CCN(Cc2ccccc2)C3=O)c1
InChIInChI=1S/C22H23N3O2.C21H18N4O2.C21H21N3O2.C20H18FN3O2/c1-16-8-10-18(11-9-16)17(2)24-12-13-25-21(22(24)26)14-19(23-25)15-27-20-6-4-3-5-7-20;1-22-17-8-5-9-19(12-17)27-15-18-13-20-21(26)24(10-11-25(20)23-18)14-16-6-3-2-4-7-16;1-16-6-5-9-19(12-16)26-15-18-13-20-21(25)23(10-11-24(20)22-18)14-17-7-3-2-4-8-17;21-16-6-8-18(9-7-16)26-14-17-12-19-20(25)23(10-11-24(19)22-17)13-15-4-2-1-3-5-15/h3-11,14,17H,12-13,15H2,1-2H3;2-9,12-13H,10-11,14-15H2;2-9,12-13H,10-11,14-15H2,1H3;1-9,12H,10-11,13-14H2/t17-;;;/m1.../s1
InChIKeyFXKWUPLLVHYPMX-NMRXSTGRSA-N
MW1418.64 g/mol
LogP14.34
Rot. Bonds20

About 5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 158170858) has the molecular formula C84H80FN13O8 and a molecular weight of 1418.64 g/mol. Its IUPAC name is 5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID158170858
Molecular FormulaC84H80FN13O8
Molecular Weight1418.64 g/mol
Exact Mass1417.62
IUPAC Name5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc([C@@H](C)N2CCn3nc(COc4ccccc4)cc3C2=O)cc1.Cc1cccc(OCc2cc3n(n2)CCN(Cc2ccccc2)C3=O)c1.O=C1c2cc(COc3ccc(F)cc3)nn2CCN1Cc1ccccc1.[C-]#[N+]c1cccc(OCc2cc3n(n2)CCN(Cc2ccccc2)C3=O)c1
InChIInChI=1S/C22H23N3O2.C21H18N4O2.C21H21N3O2.C20H18FN3O2/c1-16-8-10-18(11-9-16)17(2)24-12-13-25-21(22(24)26)14-19(23-25)15-27-20-6-4-3-5-7-20;1-22-17-8-5-9-19(12-17)27-15-18-13-20-21(26)24(10-11-25(20)23-18)14-16-6-3-2-4-7-16;1-16-6-5-9-19(12-16)26-15-18-13-20-21(25)23(10-11-24(20)22-18)14-17-7-3-2-4-8-17;21-16-6-8-18(9-7-16)26-14-17-12-19-20(25)23(10-11-24(19)22-17)13-15-4-2-1-3-5-15/h3-11,14,17H,12-13,15H2,1-2H3;2-9,12-13H,10-11,14-15H2;2-9,12-13H,10-11,14-15H2,1H3;1-9,12H,10-11,13-14H2/t17-;;;/m1.../s1
InChIKeyFXKWUPLLVHYPMX-NMRXSTGRSA-N
XLogP14.34
TPSA193.80 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001418.64
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 158170858) is 5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1ccc([C@@H](C)N2CCn3nc(COc4ccccc4)cc3C2=O)cc1.Cc1cccc(OCc2cc3n(n2)CCN(Cc2ccccc2)C3=O)c1.O=C1c2cc(COc3ccc(F)cc3)nn2CCN1Cc1ccccc1.[C-]#[N+]c1cccc(OCc2cc3n(n2)CCN(Cc2ccccc2)C3=O)c1.
What is the InChIKey of 5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is FXKWUPLLVHYPMX-NMRXSTGRSA-N. The full InChI is InChI=1S/C22H23N3O2.C21H18N4O2.C21H21N3O2.C20H18FN3O2/c1-16-8-10-18(11-9-16)17(2)24-12-13-25-21(22(24)26)14-19(23-25)15-27-20-6-4-3-5-7-20;1-22-17-8-5-9-19(12-17)27-15-18-13-20-21(26)24(10-11-25(20)23-18)14-16-6-3-2-4-7-16;1-16-6-5-9-19(12-16)26-15-18-13-20-21(25)23(10-11-24(20)22-18)14-17-7-3-2-4-8-17;21-16-6-8-18(9-7-16)26-14-17-12-19-20(25)23(10-11-24(19)22-17)13-15-4-2-1-3-5-15/h3-11,14,17H,12-13,15H2,1-2H3;2-9,12-13H,10-11,14-15H2;2-9,12-13H,10-11,14-15H2,1H3;1-9,12H,10-11,13-14H2/t17-;;;/m1.../s1.
What are the key properties of 5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 1418.64 g/mol, XLogP of 14.34, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 158170858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).